 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_M11-augccpVDZr.in
 Output=28_pantolactone_Chair_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/28_pantolactone_Chair_STD/Gau-25042.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25043.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Chair_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 20:51:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 20:51:42 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Thu Jul  8 20:51:42 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 20:51:45 2021, MaxMem= 10737418240 cpu:              34.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.61D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Jul  8 20:51:46 2021, MaxMem= 10737418240 cpu:               8.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 20:51:46 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 20:51:47 2021, MaxMem= 10737418240 cpu:               8.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.161165849450    
 DIIS: error= 3.03D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.161165849450     IErMin= 1 ErrMin= 3.03D-03
 ErrMax= 3.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-02 BMatP= 1.36D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.03D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.469 Goal=   None    Shift=    0.000
 GapD=    0.469 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.14D-02 MaxDP=7.24D-01              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-02    CP:  1.04D+00
 E= -460.173543901366     Delta-E=       -0.012378051916 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.173543901366     IErMin= 2 ErrMin= 1.11D-03
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.89D-04 BMatP= 1.36D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.11D-02
 Coeff-Com:  0.389D-01 0.961D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.385D-01 0.961D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.81D-03 MaxDP=1.01D-01 DE=-1.24D-02 OVMax= 8.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.96D-04    CP:  1.05D+00  1.13D+00
 E= -460.173858969711     Delta-E=       -0.000315068346 Rises=F Damp=F
 DIIS: error= 1.12D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -460.173858969711     IErMin= 2 ErrMin= 1.11D-03
 ErrMax= 1.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-04 BMatP= 8.89D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.12D-02
 Coeff-Com: -0.497D-01 0.502D+00 0.547D+00
 Coeff-En:   0.000D+00 0.336D+00 0.664D+00
 Coeff:     -0.491D-01 0.500D+00 0.549D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.55D-04 MaxDP=2.09D-02 DE=-3.15D-04 OVMax= 3.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.98D-04    CP:  1.05D+00  1.15D+00  1.14D+00
 E= -460.174400048203     Delta-E=       -0.000541078492 Rises=F Damp=F
 DIIS: error= 9.97D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.174400048203     IErMin= 4 ErrMin= 9.97D-05
 ErrMax= 9.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 8.19D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.944D-02 0.218D-01 0.876D-01 0.900D+00
 Coeff:     -0.944D-02 0.218D-01 0.876D-01 0.900D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.49D-04 MaxDP=9.91D-03 DE=-5.41D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.51D-05    CP:  1.05D+00  1.16D+00  1.23D+00  1.24D+00
 E= -460.174411398089     Delta-E=       -0.000011349886 Rises=F Damp=F
 DIIS: error= 6.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.174411398089     IErMin= 5 ErrMin= 6.02D-05
 ErrMax= 6.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-06 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-02-0.463D-01-0.284D-01 0.392D+00 0.681D+00
 Coeff:      0.160D-02-0.463D-01-0.284D-01 0.392D+00 0.681D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=4.34D-05 MaxDP=2.70D-03 DE=-1.13D-05 OVMax= 5.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.21D-05    CP:  1.05D+00  1.16D+00  1.26D+00  1.33D+00  1.23D+00
 E= -460.174414306698     Delta-E=       -0.000002908608 Rises=F Damp=F
 DIIS: error= 2.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.174414306698     IErMin= 6 ErrMin= 2.14D-05
 ErrMax= 2.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-07 BMatP= 3.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-02-0.242D-01-0.261D-01 0.734D-01 0.325D+00 0.650D+00
 Coeff:      0.194D-02-0.242D-01-0.261D-01 0.734D-01 0.325D+00 0.650D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.22D-05 MaxDP=8.83D-04 DE=-2.91D-06 OVMax= 1.94D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.88D-06    CP:  1.05D+00  1.16D+00  1.26D+00  1.35D+00  1.31D+00
                    CP:  1.20D+00
 E= -460.174414735020     Delta-E=       -0.000000428322 Rises=F Damp=F
 DIIS: error= 4.18D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.174414735020     IErMin= 7 ErrMin= 4.18D-06
 ErrMax= 4.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-08 BMatP= 4.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.338D-03-0.656D-04-0.383D-02-0.384D-01 0.332D-03 0.179D+00
 Coeff-Com:  0.863D+00
 Coeff:      0.338D-03-0.656D-04-0.383D-02-0.384D-01 0.332D-03 0.179D+00
 Coeff:      0.863D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.70D-06 MaxDP=5.53D-04 DE=-4.28D-07 OVMax= 8.11D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.97D-06    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.26D+00  1.25D+00
 E= -460.174414782468     Delta-E=       -0.000000047448 Rises=F Damp=F
 DIIS: error= 1.83D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.174414782468     IErMin= 8 ErrMin= 1.83D-06
 ErrMax= 1.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-09 BMatP= 3.04D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-04 0.223D-02 0.157D-02-0.177D-01-0.293D-01-0.244D-01
 Coeff-Com:  0.224D+00 0.843D+00
 Coeff:     -0.950D-04 0.223D-02 0.157D-02-0.177D-01-0.293D-01-0.244D-01
 Coeff:      0.224D+00 0.843D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=9.53D-05 DE=-4.74D-08 OVMax= 2.51D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.85D-07    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.28D+00  1.33D+00  1.26D+00
 E= -460.174414787356     Delta-E=       -0.000000004888 Rises=F Damp=F
 DIIS: error= 6.77D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.174414787356     IErMin= 9 ErrMin= 6.77D-07
 ErrMax= 6.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-10 BMatP= 3.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.725D-04 0.840D-03 0.110D-02-0.231D-02-0.104D-01-0.329D-01
 Coeff-Com: -0.162D-01 0.334D+00 0.726D+00
 Coeff:     -0.725D-04 0.840D-03 0.110D-02-0.231D-02-0.104D-01-0.329D-01
 Coeff:     -0.162D-01 0.334D+00 0.726D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=4.93D-07 MaxDP=3.09D-05 DE=-4.89D-09 OVMax= 9.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.59D-07    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.29D+00  1.36D+00  1.35D+00  1.18D+00
 E= -460.174414788046     Delta-E=       -0.000000000690 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.174414788046     IErMin=10 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.44D-11 BMatP= 6.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-04 0.327D-04 0.207D-03 0.120D-02 0.255D-03-0.870D-02
 Coeff-Com: -0.283D-01 0.711D-02 0.211D+00 0.817D+00
 Coeff:     -0.145D-04 0.327D-04 0.207D-03 0.120D-02 0.255D-03-0.870D-02
 Coeff:     -0.283D-01 0.711D-02 0.211D+00 0.817D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.93D-07 MaxDP=1.26D-05 DE=-6.90D-10 OVMax= 4.21D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.28D+00  1.36D+00  1.38D+00  1.23D+00  1.26D+00
 E= -460.174414788159     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 6.10D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -460.174414788159     IErMin=11 ErrMin= 6.10D-08
 ErrMax= 6.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-12 BMatP= 5.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.740D-05-0.109D-03-0.111D-03 0.507D-03 0.158D-02 0.237D-02
 Coeff-Com: -0.193D-02-0.444D-01-0.616D-01 0.142D+00 0.962D+00
 Coeff:      0.740D-05-0.109D-03-0.111D-03 0.507D-03 0.158D-02 0.237D-02
 Coeff:     -0.193D-02-0.444D-01-0.616D-01 0.142D+00 0.962D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.93D-08 MaxDP=2.39D-06 DE=-1.13D-10 OVMax= 2.63D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.94D-08    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.28D+00  1.36D+00  1.38D+00  1.25D+00  1.34D+00
                    CP:  1.23D+00
 E= -460.174414788134     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -460.174414788159     IErMin=12 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.45D-13 BMatP= 5.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-05-0.132D-04-0.342D-04-0.839D-04 0.162D-03 0.107D-02
 Coeff-Com:  0.318D-02-0.553D-02-0.300D-01-0.745D-01 0.116D+00 0.990D+00
 Coeff:      0.217D-05-0.132D-04-0.342D-04-0.839D-04 0.162D-03 0.107D-02
 Coeff:      0.318D-02-0.553D-02-0.300D-01-0.745D-01 0.116D+00 0.990D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.61D-08 MaxDP=2.42D-06 DE= 2.54D-11 OVMax= 1.23D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.28D+00  1.36D+00  1.38D+00  1.24D+00  1.36D+00
                    CP:  1.31D+00  1.16D+00
 E= -460.174414788155     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 1.15D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -460.174414788159     IErMin=13 ErrMin= 1.15D-08
 ErrMax= 1.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.59D-14 BMatP= 6.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-05 0.178D-04 0.157D-04-0.982D-04-0.256D-03-0.315D-03
 Coeff-Com:  0.778D-03 0.716D-02 0.735D-02-0.340D-01-0.155D+00 0.963D-01
 Coeff-Com:  0.108D+01
 Coeff:     -0.109D-05 0.178D-04 0.157D-04-0.982D-04-0.256D-03-0.315D-03
 Coeff:      0.778D-03 0.716D-02 0.735D-02-0.340D-01-0.155D+00 0.963D-01
 Coeff:      0.108D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=1.15D-06 DE=-2.11D-11 OVMax= 6.40D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.80D-09    CP:  1.05D+00  1.16D+00  1.26D+00  1.36D+00  1.35D+00
                    CP:  1.28D+00  1.36D+00  1.38D+00  1.24D+00  1.36D+00
                    CP:  1.33D+00  1.29D+00  1.24D+00
 E= -460.174414788165     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 2.98D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -460.174414788165     IErMin=14 ErrMin= 2.98D-09
 ErrMax= 2.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.02D-15 BMatP= 9.59D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.205D-06 0.129D-05 0.383D-05 0.769D-05-0.267D-04-0.108D-03
 Coeff-Com: -0.323D-03 0.734D-03 0.308D-02 0.666D-02-0.142D-01-0.912D-01
 Coeff-Com:  0.293D-01 0.107D+01
 Coeff:     -0.205D-06 0.129D-05 0.383D-05 0.769D-05-0.267D-04-0.108D-03
 Coeff:     -0.323D-03 0.734D-03 0.308D-02 0.666D-02-0.142D-01-0.912D-01
 Coeff:      0.293D-01 0.107D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=3.02D-09 MaxDP=1.54D-07 DE=-1.01D-11 OVMax= 1.71D-07

 SCF Done:  E(RM11) =  -460.174414788     A.U. after   14 cycles
            NFock= 14  Conv=0.30D-08     -V/T= 2.0068
 KE= 4.570522700810D+02 PE=-2.069337384378D+03 EE= 6.548205646832D+02
 Leave Link  502 at Thu Jul  8 20:54:39 2021, MaxMem= 10737418240 cpu:            2749.0 elap:             172.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.87113468D+02

 Leave Link  801 at Thu Jul  8 20:54:40 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 1.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.57D-01 4.28D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 2.66D-02 2.72D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.04D-03 8.91D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 1.32D-04 1.86D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 9.28D-06 3.25D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 3.31D-07 4.61D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 7.10D-09 6.34D-06.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 1.56D-10 1.35D-06.
     11 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 3.65D-12 2.72D-07.
      6 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 6.99D-14 3.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.927763D+02
      2 -0.431012D+01  0.805899D+02
      3 -0.177648D+01  0.779615D+00  0.737104D+02
 Isotropic polarizability for W=    0.085645       82.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.356790D+02  0.138038D+02  0.559822D+01
      2  -0.205657D+02 -0.715078D+01 -0.607404D+00
      3  -0.151133D+02 -0.665304D+01 -0.499082D+01
      4   0.186239D+01  0.529642D+02  0.404343D+00
      5   0.858046D+01  0.521792D+00  0.822368D+02
      6  -0.400609D+00  0.492054D+01 -0.432887D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.971043D+00 -0.119968D+01 -0.683619D+00
      2   0.343078D+01  0.844406D+00  0.360203D+02
      3  -0.135267D+02 -0.200173D+02 -0.135344D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.117450D+00  0.552794D+01 -0.232418D+01
      2  -0.298223D+01  0.804951D+00  0.973501D+02
      3  -0.119414D+02 -0.735299D+02 -0.922401D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.383893D+00 -0.239563D+00  0.176938D+01
      2  -0.239563D+00 -0.351955D+00 -0.102322D+01
      3   0.176938D+01 -0.102322D+01 -0.293919D+00
 OR G Eigenvalues:    -2.0272    -0.3744     2.1396  Iso=     0.0873
 Eigenvectors:
   (1)  -0.519230   0.390173   0.760372
   (2)   0.501530   0.859507  -0.098566
   (3)   0.692003  -0.330171   0.641965
 w=    0.085645 a.u., Optical Rotation Beta=      0.0873 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       31.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 6.26D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.21D-02 2.09D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 1.74D-03 7.51D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 3.24D-05 7.79D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 4.42D-07 7.60D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 7.88D-09 8.43D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 1.08D-10 9.83D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 9.34D-13 7.63D-08.
      7 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 6.91D-15 8.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 2.64D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 2.64D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927763D+02 -0.431012D+01 -0.177648D+01
      2  -0.431012D+01  0.805899D+02  0.779615D+00
      3  -0.177648D+01  0.779615D+00  0.737104D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.971043D+00 -0.119968D+01 -0.683619D+00
      2   0.343078D+01  0.844406D+00  0.360203D+02
      3  -0.135267D+02 -0.200173D+02 -0.135344D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.356790D+02  0.138038D+02  0.559822D+01
      2  -0.205657D+02 -0.715078D+01 -0.607404D+00
      3  -0.151133D+02 -0.665304D+01 -0.499082D+01
      4   0.186239D+01  0.529642D+02  0.404343D+00
      5   0.858046D+01  0.521792D+00  0.822368D+02
      6  -0.400609D+00  0.492054D+01 -0.432887D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.680918D+01 -0.270912D+01 -0.339901D+00 -0.155706D+01 -0.128817D+01
      2  -0.270912D+01 -0.934038D-02  0.179656D+00 -0.128817D+01  0.219884D+00
      3  -0.339901D+00  0.179656D+00 -0.236459D+00  0.170790D+00  0.142036D+00
                 6             7             8             9            10 
      1   0.170790D+00 -0.136350D+01  0.720416D-01  0.210978D+00 -0.340885D+01
      2   0.142036D+00  0.720416D-01 -0.310816D+00 -0.332070D+00  0.270774D+01
      3  -0.693079D+00  0.210978D+00 -0.332070D+00 -0.833813D+00 -0.143470D+01
                11            12            13            14            15 
      1   0.270774D+01 -0.143470D+01  0.341086D+01  0.596000D+00 -0.580036D-01
      2  -0.582130D-01  0.193163D-01  0.596000D+00 -0.107510D+01 -0.457140D+00
      3   0.193163D-01 -0.946661D+00 -0.580036D-01 -0.457140D+00  0.243090D+01
                16            17            18            19            20 
      1  -0.112870D+01  0.698425D+00 -0.748465D+00  0.214797D+01 -0.208194D+01
      2   0.698425D+00 -0.108609D+01  0.703954D+00 -0.208194D+01  0.319618D+01
      3  -0.748465D+00  0.703954D+00  0.773288D+01  0.371888D+01  0.843945D-01
                21            22            23            24            25 
      1   0.371888D+01 -0.231040D+01  0.297350D+01 -0.233074D+00  0.420424D+01
      2   0.843945D-01  0.297350D+01  0.355301D+01  0.161688D+01 -0.100085D+00
      3  -0.737105D+00 -0.233074D+00  0.161688D+01 -0.201980D+01 -0.639633D+00
                26            27            28            29            30 
      1  -0.100085D+00 -0.639633D+00  0.186190D+01  0.432241D+00 -0.109568D+01
      2   0.119434D+01 -0.196669D+01  0.432241D+00 -0.333549D+01 -0.200679D+00
      3  -0.196669D+01 -0.683618D+01 -0.109568D+01 -0.200679D+00 -0.273526D+01
                31            32            33            34            35 
      1   0.842551D-01 -0.299360D+01  0.427128D+00 -0.108913D+01  0.252855D+00
      2  -0.299360D+01 -0.997730D+00 -0.145202D+01  0.252855D+00 -0.127770D+01
      3   0.427128D+00 -0.145202D+01  0.253659D+01 -0.187665D+01  0.407705D+01
                36            37            38            39            40 
      1  -0.187665D+01 -0.365896D+01 -0.229211D+01  0.303047D+00 -0.204005D+01
      2   0.407705D+01 -0.229211D+01 -0.428975D+00  0.331818D+00 -0.392486D+00
      3   0.405989D+01  0.303047D+00  0.331818D+00  0.892584D+00 -0.119517D+00
                41            42            43            44            45 
      1  -0.392486D+00 -0.119517D+00  0.636733D+00  0.258917D+00 -0.484180D+00
      2  -0.529443D+01  0.474558D+00  0.258917D+00  0.495115D+00 -0.148403D+01
      3   0.474558D+00 -0.834489D+00 -0.484180D+00 -0.148403D+01  0.582927D+00
                46            47            48            49            50 
      1  -0.167278D+02  0.269366D+01  0.891354D+00  0.172222D+01 -0.312975D+01
      2   0.269366D+01 -0.301080D+01 -0.201035D+00 -0.312975D+01  0.226748D+01
      3   0.891354D+00 -0.201035D+00 -0.165502D+01 -0.926868D-01  0.348608D+00
                51            52            53            54            55 
      1  -0.926868D-01  0.196402D+01 -0.244731D+00 -0.361781D+01  0.390550D+01
      2   0.348608D+00 -0.244731D+00  0.556024D+00  0.788187D+00 -0.257157D+00
      3   0.764492D+00 -0.361781D+01  0.788187D+00  0.120625D+01  0.473994D-01
                56            57            58            59            60 
      1  -0.257157D+00  0.473994D-01 -0.296371D+00 -0.174391D+00  0.264247D+00
      2   0.320896D+01  0.215448D+00 -0.174391D+00  0.634383D+01 -0.216555D+00
      3   0.215448D+00  0.108105D+01  0.264247D+00 -0.216555D+00 -0.736431D+00
                61            62            63            64            65 
      1  -0.664056D+00 -0.400847D-01  0.325034D+00  0.878528D+00 -0.387807D+00
      2  -0.400847D-01  0.140402D+00  0.111719D+01 -0.387807D+00 -0.700469D-01
      3   0.325034D+00  0.111719D+01 -0.352812D+00 -0.112342D+01  0.715929D-01
                66            67            68            69            70 
      1  -0.112342D+01 -0.537270D+00 -0.209082D+00  0.443512D-01 -0.172617D+01
      2   0.715929D-01 -0.209082D+00  0.464004D+00 -0.132566D+01  0.142638D-01
      3   0.358263D+00  0.443512D-01 -0.132566D+01 -0.234357D+00  0.390417D-01
                71            72            73            74            75 
      1   0.142638D-01  0.390417D-01  0.177078D+01 -0.171049D+01  0.115261D+01
      2  -0.165987D+01  0.457807D+00 -0.171049D+01  0.238324D+01 -0.727474D+00
      3   0.457807D+00 -0.971145D+01  0.115261D+01 -0.727474D+00  0.109524D+01
                76            77            78            79            80 
      1  -0.147757D+01  0.198012D+01 -0.548285D+00  0.160573D+01 -0.993781D+00
      2   0.198012D+01 -0.561574D+01  0.197212D+01 -0.993781D+00  0.339740D+01
      3  -0.548285D+00  0.197212D+01 -0.183083D+01  0.128323D+01 -0.257920D+01
                81            82            83            84            85 
      1   0.128323D+01  0.744457D+00 -0.852575D+00 -0.136199D+01 -0.542687D+00
      2  -0.257920D+01 -0.852575D+00  0.894113D+00  0.547725D+00  0.101541D+01
      3   0.203771D+01 -0.136199D+01  0.547725D+00  0.111361D+01  0.267559D+00
                86            87            88            89            90 
      1   0.101541D+01  0.267559D+00 -0.209945D+01  0.486224D+00  0.145238D+01
      2  -0.259238D+01 -0.183382D+01  0.486224D+00 -0.298494D+01 -0.368908D+01
      3  -0.183382D+01 -0.194009D+01  0.145238D+01 -0.368908D+01 -0.660778D+01
                91            92            93            94            95 
      1  -0.462750D+01  0.206309D+01  0.421113D+00  0.145866D+01 -0.123710D+01
      2   0.206309D+01 -0.376007D+01 -0.277346D+00 -0.123710D+01  0.146968D+01
      3   0.421113D+00 -0.277346D+00 -0.109579D+01 -0.179722D+00  0.118468D+00
                96            97            98            99           100 
      1  -0.179722D+00  0.884714D+00 -0.330162D+00 -0.571245D+00  0.948323D-02
      2   0.118468D+00 -0.330162D+00  0.714574D+00  0.654814D+00  0.274821D+01
      3   0.520150D+00 -0.571245D+00  0.654814D+00  0.388749D+00 -0.467210D+01
               101           102           103           104           105 
      1   0.274821D+01 -0.467210D+01  0.300538D+01 -0.267507D+01  0.432179D+00
      2  -0.205297D+01  0.371321D+00 -0.267507D+01 -0.453064D+01 -0.257189D+01
      3   0.371321D+00  0.140668D+01  0.432179D+00 -0.257189D+01  0.203716D+01
               106           107           108           109           110 
      1  -0.407966D+01  0.231669D+00  0.129712D+01 -0.124650D+01  0.264035D+01
      2   0.231669D+00 -0.124216D+01  0.182529D+01  0.264035D+01 -0.309230D+01
      3   0.129712D+01  0.182529D+01  0.401522D+01 -0.334961D+01  0.292972D+00
               111           112           113           114           115 
      1  -0.334961D+01  0.286587D+01 -0.382719D+01  0.282451D+00 -0.372657D+01
      2   0.292972D+00 -0.382719D+01 -0.450797D+01 -0.959771D+00  0.288393D+00
      3   0.157196D+01  0.282451D+00 -0.959771D+00  0.177862D+01  0.655973D+00
               116           117           118           119           120 
      1   0.288393D+00  0.655973D+00 -0.400994D+01 -0.872402D+00  0.249437D+01
      2  -0.113384D+01  0.158778D+01 -0.872402D+00 -0.858499D+00  0.268867D+00
      3   0.158778D+01  0.685056D+01  0.249437D+01  0.268867D+00 -0.370445D+01
               121           122           123           124           125 
      1  -0.101338D+01 -0.573945D+00  0.370940D+00  0.211287D+01  0.231021D+00
      2  -0.573945D+00 -0.886266D-01  0.103096D+01  0.231021D+00  0.791134D+00
      3   0.370940D+00  0.103096D+01 -0.117371D+01 -0.213393D+01 -0.628413D+00
               126           127           128           129           130 
      1  -0.213393D+01  0.836237D+00  0.943770D+00  0.945607D+00  0.150103D+01
      2  -0.628413D+00  0.943770D+00  0.120220D+01  0.410857D+00  0.170254D+01
      3   0.367821D+01  0.945607D+00  0.410857D+00  0.277328D+00  0.783884D+00
               131           132           133           134           135 
      1   0.170254D+01  0.783884D+00  0.621372D+00  0.334325D+00  0.232723D+00
      2   0.675177D+01  0.235121D+01  0.334325D+00  0.128576D+01  0.118003D+01
      3   0.235121D+01  0.246196D+01  0.232723D+00  0.118003D+01  0.818155D+00
               136           137           138           139           140 
      1   0.500920D+01 -0.183526D+01  0.302169D+01 -0.253119D+01  0.188619D+01
      2  -0.183526D+01  0.177396D+01 -0.908470D+00  0.188619D+01 -0.154734D+01
      3   0.302169D+01 -0.908470D+00  0.259058D+01 -0.131622D+01  0.149473D+01
               141           142           143           144           145 
      1  -0.131622D+01  0.204688D+01 -0.680985D+00  0.173937D+01 -0.138227D+00
      2   0.149473D+01 -0.680985D+00  0.865551D+00 -0.111009D+01 -0.406256D+00
      3  -0.212677D+01  0.173937D+01 -0.111009D+01  0.225037D+01 -0.693713D+00
               146           147           148           149           150 
      1  -0.406256D+00 -0.693713D+00 -0.730220D+00  0.522362D+00  0.140288D+00
      2   0.774205D-01 -0.540351D-01  0.522362D+00 -0.109191D-02 -0.105479D+01
      3  -0.540351D-01 -0.506802D+00  0.140288D+00 -0.105479D+01 -0.114120D+01
               151           152           153           154           155 
      1  -0.163645D+01 -0.564258D-01  0.132653D+01  0.768869D+01 -0.242131D+01
      2  -0.564258D-01 -0.113540D+01 -0.655857D+00 -0.242131D+01  0.204510D+01
      3   0.132653D+01 -0.655857D+00 -0.909824D+01  0.864332D+00 -0.326333D+00
               156           157           158           159           160 
      1   0.864332D+00 -0.398396D+01  0.258788D+01 -0.213470D+00  0.254420D+01
      2  -0.326333D+00  0.258788D+01 -0.178286D+01  0.461191D+00 -0.554200D+00
      3   0.101097D+01 -0.213470D+00  0.461191D+00 -0.106801D+01  0.106302D+01
               161           162           163           164           165 
      1  -0.554200D+00  0.106302D+01  0.215584D+01  0.159738D+01  0.210709D+00
      2   0.837868D+00 -0.740398D+00  0.159738D+01  0.189553D+01 -0.985934D-01
      3  -0.740398D+00  0.291554D+00  0.210709D+00 -0.985934D-01  0.219275D+00
               166           167           168           169           170 
      1   0.297188D+01  0.323678D+01 -0.422834D+00  0.892932D+00  0.132319D+00
      2   0.323678D+01  0.696424D+01 -0.139131D+00  0.132319D+00  0.552650D+00
      3  -0.422834D+00 -0.139131D+00  0.126889D+01  0.446537D+00  0.793723D+00
               171 
      1   0.446537D+00
      2   0.793723D+00
      3  -0.472195D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.752871D+00  0.377518D+01 -0.825060D+00  0.283750D+01  0.176323D+01
      2  -0.196047D+01 -0.322758D+01 -0.968074D+01 -0.214096D+01 -0.869257D+00
      3  -0.219228D+01  0.684608D+01  0.117550D+01  0.184981D+00 -0.378464D+01
                 6             7             8             9            10 
      1   0.437151D+01  0.148813D+01  0.123730D+02 -0.200180D+01  0.234240D+00
      2   0.273811D+01 -0.132529D+02 -0.330211D+01  0.375770D+01 -0.345902D+01
      3  -0.152423D+01  0.259173D+01 -0.514479D+01  0.216467D+00  0.139282D+01
                11            12            13            14            15 
      1  -0.998811D+00 -0.241891D+01 -0.205062D+01  0.106792D+01 -0.137821D+01
      2   0.241536D+01  0.123672D+01  0.420631D+01  0.479290D+00  0.334310D+01
      3  -0.207956D+01 -0.780509D+00  0.727690D+01 -0.721032D+00  0.112208D+01
                16            17            18            19            20 
      1  -0.107818D+01  0.245381D+01 -0.186055D+01 -0.682367D+00 -0.169375D+00
      2  -0.311339D+01  0.911272D+00 -0.492540D+01  0.840767D+01 -0.237971D+00
      3  -0.890058D+00  0.221363D+01 -0.180288D+01  0.293141D+01 -0.897104D+01
                21            22            23            24            25 
      1   0.710714D+00 -0.135373D+00  0.649252D+00 -0.610595D+01  0.402348D+00
      2   0.411820D+01 -0.971105D+00  0.196984D+01 -0.263037D+01 -0.523967D+01
      3   0.161631D+00 -0.415562D+00 -0.649499D+01 -0.286885D+01  0.835834D+00
                26            27            28            29            30 
      1   0.245399D+01 -0.969937D+00  0.103489D+00  0.185546D+01 -0.494732D+01
      2  -0.260388D+01 -0.484376D+01 -0.171973D+01  0.608129D+00 -0.256731D+01
      3  -0.248485D+01  0.199983D+01 -0.925810D+01  0.125234D+01  0.637025D+00
                31            32            33            34            35 
      1   0.296141D+01 -0.375897D+01  0.572843D+01 -0.323646D+01  0.129977D+02
      2  -0.179111D+00 -0.258014D+01  0.192412D+01 -0.637483D+01  0.497846D+01
      3   0.406557D+01  0.672039D+01  0.178527D+01  0.262314D+00  0.133943D+01
                36            37            38            39            40 
      1   0.669482D+01 -0.497455D+00 -0.151301D+01 -0.111400D+00  0.129839D+01
      2   0.296030D+01 -0.315432D+00  0.124981D+01  0.643158D+01  0.423890D+00
      3   0.153898D+01  0.918562D+01 -0.234492D+01 -0.951273D+00  0.117756D+02
                41            42            43            44            45 
      1   0.150172D+01 -0.649171D+01 -0.460714D+01 -0.190136D+01  0.185115D+01
      2  -0.254186D+00 -0.870227D+00 -0.305774D+01  0.367406D+01 -0.159748D+01
      3  -0.469620D+01 -0.225458D+00 -0.298354D+01  0.411306D+00 -0.327023D+00
                46            47            48            49            50 
      1   0.126372D+01 -0.102175D+01  0.150311D+01 -0.104941D+01 -0.333140D+00
      2  -0.296856D+01  0.382932D+00  0.139637D+02  0.994173D+00 -0.639890D+00
      3   0.868451D+01 -0.186605D+02 -0.652625D+00 -0.273313D+01  0.858507D+01
                51            52            53            54            55 
      1  -0.356999D+01 -0.207503D+01  0.480932D+00  0.703712D+00  0.146061D+01
      2  -0.200459D+01  0.469904D+01  0.837606D+00 -0.435835D+01 -0.317512D+00
      3   0.852792D+00 -0.426296D+00  0.408849D+01  0.269324D+01  0.127724D+02
                56            57            58            59            60 
      1  -0.137716D+01 -0.167865D+01  0.130803D+00 -0.359737D+01 -0.614028D+01
      2   0.818364D+00  0.138968D+01 -0.608313D+00 -0.764727D+00 -0.103413D+01
      3  -0.138002D+01 -0.111895D+01  0.560229D+01  0.393218D+01  0.217423D+00
                61            62            63            64            65 
      1  -0.781533D+00  0.159755D+01 -0.210225D+01  0.272084D+00 -0.140279D+00
      2  -0.359517D+01  0.398456D+00 -0.213788D+00  0.224767D+01 -0.271588D+00
      3  -0.141500D+01  0.232044D+00  0.173590D+01  0.602603D+00 -0.102832D+01
                66            67            68            69            70 
      1   0.277815D+00 -0.392567D+00  0.568549D+00  0.760022D+00 -0.505283D+00
      2  -0.333042D+00 -0.974765D+00  0.467309D+00 -0.159329D-01 -0.451959D+01
      3  -0.585387D+00  0.271040D+00  0.147465D+00 -0.409199D+00 -0.822345D+00
                71            72            73            74            75 
      1   0.392952D+01  0.489602D+01  0.275510D+01 -0.166265D+01  0.297463D+01
      2   0.302319D+00  0.355047D+01  0.804568D+00 -0.790676D+00  0.207416D+01
      3  -0.712184D+00  0.596513D+00 -0.275937D+01 -0.124397D-01 -0.180355D+01
                76            77            78            79            80 
      1  -0.186530D+01  0.457678D+01 -0.561905D+01  0.307997D+01 -0.401585D+01
      2   0.234068D+00  0.186454D+01 -0.205997D+01 -0.709157D-01 -0.228090D+01
      3   0.425935D+01 -0.661231D+00 -0.187133D+00 -0.385586D+01 -0.101255D+01
                81            82            83            84            85 
      1   0.580773D+01 -0.256617D+01  0.180155D+00  0.215063D+01 -0.154264D+00
      2   0.219649D+01  0.107238D+00 -0.182251D+00  0.660951D+00 -0.613870D+00
      3  -0.104754D+01 -0.143482D+01 -0.305054D+00  0.247905D+01  0.147785D+01
                86            87            88            89            90 
      1  -0.180638D+01 -0.436488D+01  0.320854D+01 -0.296594D+01 -0.120772D+02
      2  -0.799848D+00 -0.149508D+01 -0.234605D+01 -0.250603D+01 -0.451548D+01
      3  -0.109921D+01  0.425794D+00  0.525455D+01  0.107784D+01 -0.140330D+01
                91            92            93            94            95 
      1  -0.218097D+01  0.151028D+01  0.265092D+01  0.326573D+00 -0.760238D+00
      2  -0.325812D+00  0.121885D+00  0.176850D+01  0.113759D+00  0.105145D+00
      3  -0.130014D+02 -0.518801D+00  0.140555D+01  0.146139D+01 -0.270228D+01
                96            97            98            99           100 
      1  -0.129044D+01  0.855487D+00 -0.544381D+00 -0.107828D+01  0.630987D+01
      2  -0.695977D+00 -0.388168D+00 -0.769048D+00 -0.346632D+00 -0.624475D+01
      3  -0.110588D+00  0.215637D+01 -0.375078D+00 -0.480297D+00 -0.342410D+01
               101           102           103           104           105 
      1  -0.422655D+01 -0.210723D+00 -0.550166D+01 -0.921509D+01 -0.921483D+01
      2  -0.453200D+01  0.150854D+02 -0.480913D+01  0.130439D+01  0.193847D+01
      3   0.181673D+01 -0.227105D+01  0.701492D+01  0.556745D+01  0.343394D+01
               106           107           108           109           110 
      1   0.518524D+00 -0.233025D+01  0.328838D+01 -0.137927D+01  0.322657D+01
      2   0.740654D+01  0.176438D+01  0.160605D+01 -0.115105D+02  0.289518D+01
      3  -0.156929D+01  0.224043D+01 -0.205564D+01 -0.767576D+01  0.728756D+01
               111           112           113           114           115 
      1  -0.687717D+00  0.430578D+01  0.481972D+01 -0.173504D+01  0.289546D+00
      2   0.188762D+01  0.331638D+01 -0.594993D+01  0.479170D+01 -0.516934D+01
      3  -0.146715D+01  0.162752D+02  0.117322D+02  0.166982D+01 -0.200816D+01
               116           117           118           119           120 
      1   0.223393D+01 -0.367615D+01 -0.238225D+01 -0.292643D+01  0.941282D+00
      2   0.392888D+01  0.194158D+02  0.133313D+02  0.248637D+01 -0.660666D+01
      3   0.303816D+01 -0.416684D+01 -0.116703D+00 -0.920036D+00  0.347537D+00
               121           122           123           124           125 
      1  -0.143846D+01 -0.591925D+00  0.936606D+00  0.111971D+01  0.305243D+01
      2   0.301960D+01  0.234805D+01 -0.168130D+01 -0.844385D+01 -0.123496D+01
      3   0.129864D+01 -0.175096D+00 -0.103049D+01  0.266645D-02 -0.488411D-01
               126           127           128           129           130 
      1  -0.178368D+01  0.127867D+01  0.205026D+01  0.281386D+00  0.247755D+01
      2   0.728457D+01  0.282300D+00 -0.902661D+00 -0.125287D+00 -0.224816D+01
      3   0.706877D-01 -0.648599D+00 -0.196012D+01 -0.286245D+00  0.861427D+00
               131           132           133           134           135 
      1   0.132189D+02  0.396752D+00  0.844340D+00  0.293100D+01  0.164925D+01
      2   0.590183D+00  0.266022D+01 -0.162950D+01  0.856521D+00  0.773653D+00
      3  -0.948518D+01 -0.272046D+01 -0.311550D-02 -0.158470D+01 -0.177052D+01
               136           137           138           139           140 
      1  -0.418890D+01  0.463456D+01 -0.127852D+01  0.356601D+01 -0.380637D+01
      2  -0.543532D+01  0.236391D+01  0.697902D+00  0.357475D+01 -0.137020D+01
      3   0.250478D+01 -0.460200D+01  0.163191D+01 -0.160835D+01  0.325765D+01
               141           142           143           144           145 
      1   0.142464D+01 -0.176659D+01  0.310830D+01 -0.209397D+01  0.598061D+00
      2  -0.140402D+01 -0.316703D+01 -0.773485D-01  0.569777D+00 -0.258024D+01
      3  -0.205069D+01  0.914421D+00 -0.186295D+01  0.185346D+01  0.100306D+01
               146           147           148           149           150 
      1   0.164081D+00  0.615882D-01 -0.308553D+00  0.588109D+00  0.284563D+00
      2  -0.517092D+00 -0.664764D+00 -0.946599D+00 -0.188391D+01 -0.280366D+01
      3  -0.100526D+01 -0.551375D-01 -0.428558D+00  0.181743D+00  0.238759D+01
               151           152           153           154           155 
      1  -0.438582D-01  0.424007D+01  0.279699D+01  0.195360D+01 -0.149338D+01
      2  -0.221846D+01 -0.205203D+01 -0.219805D+02  0.852466D+01 -0.330429D+01
      3   0.146821D+00  0.307690D+01  0.199861D+01  0.707154D+01 -0.812428D+01
               156           157           158           159           160 
      1   0.106092D+01 -0.177914D+01  0.107816D+01 -0.172641D+01  0.267431D+00
      2   0.585869D+01 -0.364648D+01  0.349982D+01 -0.442104D+01  0.335712D+01
      3   0.125525D+01 -0.566070D+01  0.621372D+01 -0.155125D+01  0.149307D+01
               161           162           163           164           165 
      1   0.233640D+00  0.921689D+00 -0.159918D+01 -0.186716D+01 -0.454695D+00
      2  -0.246239D+01  0.223424D+01  0.223819D+01  0.101719D+01  0.166347D+01
      3  -0.297285D+01  0.213300D+01 -0.348870D+01 -0.558590D+01  0.482613D+00
               166           167           168           169           170 
      1  -0.233492D+01 -0.635584D+01 -0.312456D+01 -0.128863D+00 -0.325566D-01
      2   0.125557D+01  0.248351D+01  0.372059D+01  0.730572D+00  0.178802D+01
      3  -0.458557D+01 -0.186693D+02 -0.105533D+00  0.315872D+00 -0.151946D+01
               171 
      1  -0.570089D+00
      2  -0.678566D+00
      3  -0.178264D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.488960D+02  0.282634D+01  0.548275D+00  0.126530D+02  0.829004D+01
      2   0.278050D+02  0.168203D+01 -0.388539D+01 -0.862610D+01 -0.107082D+02
      3   0.210910D+02 -0.450837D+01  0.333711D+01 -0.402686D+01  0.241812D+01
      4   0.102617D+02 -0.112266D+02 -0.238752D+00 -0.694288D+00  0.712383D+01
      5   0.238595D+01  0.278601D+00 -0.140497D+02 -0.102465D+01  0.617628D+00
      6  -0.431156D-01 -0.464164D+00  0.372151D+01  0.173822D-01  0.714599D-01
                 6             7             8             9            10 
      1  -0.232356D+01  0.907058D+01 -0.227011D+01 -0.644361D+01 -0.297278D+01
      2   0.560127D+00 -0.645408D+01  0.136295D+00 -0.365399D+01  0.593282D+01
      3   0.176343D+01 -0.261651D+01  0.213382D+01  0.100976D+02 -0.296005D+01
      4   0.718680D+00 -0.891101D+00  0.278256D+01  0.124665D+01 -0.265785D+01
      5   0.860282D+01  0.407246D+01  0.248020D-01  0.620824D+01 -0.152232D+01
      6  -0.511529D+01  0.598911D+00  0.211192D+01  0.110849D+01 -0.526311D+00
                11            12            13            14            15 
      1  -0.207432D+01 -0.756407D+00  0.672145D+01 -0.603164D+00  0.262076D+01
      2   0.324465D+01 -0.133840D+00 -0.314972D+01 -0.519263D+01  0.519459D+01
      3  -0.117033D+01  0.890247D+00 -0.357173D+01  0.579579D+01 -0.781535D+01
      4  -0.893633D+00  0.763932D-01 -0.431165D+01  0.202054D+01 -0.107714D+01
      5  -0.165063D+01  0.359832D+00 -0.204605D+01  0.639676D-01  0.390396D+01
      6  -0.156077D+01  0.217693D+01 -0.920783D+00  0.242405D+00 -0.151240D+01
                16            17            18            19            20 
      1  -0.691928D+01  0.568066D+00  0.149067D+02 -0.294507D+01 -0.305110D+01
      2   0.267636D+01 -0.318788D+01  0.155015D+02 -0.365257D+01 -0.181868D+01
      3   0.424292D+01  0.261982D+01 -0.304082D+02  0.659764D+01  0.486978D+01
      4  -0.125129D+01 -0.529325D+00 -0.293184D+01 -0.441571D+01  0.542179D+01
      5   0.321709D+00 -0.106149D+01 -0.209568D+01  0.145667D+02  0.134519D+01
      6  -0.282981D+01  0.774644D+00  0.789890D+01  0.499535D+00  0.244744D+01
                21            22            23            24            25 
      1   0.107194D+02 -0.826443D+01  0.111323D+02  0.150872D+01  0.152388D+02
      2  -0.484233D+01  0.463029D+01 -0.101938D+02 -0.239339D+00 -0.635951D+01
      3  -0.587703D+01  0.363414D+01 -0.938484D+00 -0.126939D+01 -0.887926D+01
      4   0.233105D+00  0.924248D+01  0.785379D+01  0.208362D+01  0.385403D+00
      5  -0.280151D+01  0.793938D+00  0.186589D+01 -0.514547D+01 -0.330841D+01
      6  -0.270781D+01  0.145915D+01 -0.282717D+01  0.390522D+01 -0.282638D+01
                26            27            28            29            30 
      1   0.504024D+00 -0.548633D+01 -0.122344D+01 -0.920139D+01 -0.338326D+01
      2   0.476982D+00  0.533208D+01  0.108923D+01  0.142828D+02 -0.109983D+01
      3  -0.981006D+00  0.154248D+00  0.134210D+00 -0.508143D+01  0.448309D+01
      4   0.198097D+01 -0.576412D+01 -0.283606D+01 -0.140109D+02  0.219635D+01
      5  -0.518857D+01 -0.134806D+02 -0.397145D+01  0.918874D+00 -0.702527D+01
      6   0.308869D+01 -0.155867D+01  0.816208D+00 -0.826943D+00  0.112443D+02
                31            32            33            34            35 
      1  -0.588925D+01 -0.165524D+01  0.265049D+00 -0.287705D+01  0.140383D+01
      2   0.922003D+01  0.177782D+01  0.708795D+01 -0.224198D+01  0.802479D+01
      3  -0.333078D+01 -0.122582D+00 -0.735300D+01  0.511903D+01 -0.942862D+01
      4  -0.792410D+01  0.559387D+01 -0.318934D+01  0.265731D+01 -0.306441D+01
      5   0.482089D+00 -0.186888D+01  0.381329D+01 -0.462545D+01  0.876661D+01
      6  -0.294379D+01  0.846313D+01 -0.135512D+02  0.994445D+01 -0.190355D+02
                36            37            38            39            40 
      1   0.130834D+02  0.641775D+01  0.395438D+01  0.126090D+01 -0.264139D+01
      2  -0.107304D+02  0.816586D+00 -0.155245D+01  0.892104D+00  0.364292D+01
      3  -0.235303D+01 -0.723433D+01 -0.240192D+01 -0.215301D+01 -0.100153D+01
      4   0.119956D+02  0.107864D+02  0.183225D+02 -0.928005D+00  0.115129D+02
      5   0.759338D+01  0.135304D+01  0.521036D+00  0.929059D+01  0.559473D+00
      6  -0.141215D+02  0.462916D+00 -0.122658D+01 -0.199307D+01  0.369599D+00
                41            42            43            44            45 
      1  -0.156122D+02  0.136978D+01 -0.329681D+00  0.350003D+00 -0.482282D+01
      2   0.256933D+02 -0.867124D+00  0.254698D+00 -0.144449D+00  0.319178D+01
      3  -0.100811D+02 -0.502655D+00  0.749836D-01 -0.205555D+00  0.163104D+01
      4   0.884649D+01 -0.879709D+00 -0.115096D+01 -0.125708D+01  0.540022D+01
      5   0.901696D+00 -0.246084D+01  0.337861D+01  0.385697D+01 -0.161484D+01
      6  -0.608728D+00  0.105307D+02  0.165843D+01  0.921082D+01 -0.177953D+01
                46            47            48            49            50 
      1   0.982090D+02 -0.107481D+02 -0.340187D+01 -0.102442D+02  0.898020D+01
      2  -0.559710D+02  0.611874D+01  0.324898D+01  0.602399D+01 -0.826843D+00
      3  -0.422380D+02  0.462932D+01  0.152886D+00  0.422026D+01 -0.815335D+01
      4  -0.839022D+01  0.216127D+02  0.681593D+00  0.216792D+02 -0.826589D+01
      5  -0.229807D+01  0.411733D+00  0.233405D+02  0.969387D+00 -0.133433D+01
      6   0.246777D+00  0.674592D+00 -0.227644D+01 -0.800181D+00 -0.281554D+00
                51            52            53            54            55 
      1   0.707921D+00 -0.850291D+01  0.159312D+01  0.130413D+02 -0.104973D+01
      2  -0.288150D+00  0.611780D+01 -0.343400D+00 -0.116732D+02 -0.612501D+00
      3  -0.419770D+00  0.238510D+01 -0.124972D+01 -0.136808D+01  0.166223D+01
      4  -0.235598D+01  0.143779D+01 -0.308345D+01 -0.136536D+01  0.146905D+02
      5  -0.501201D+01  0.242012D+02 -0.370592D+01 -0.744873D+01  0.356778D+00
      6   0.516384D+01 -0.329517D+00  0.432172D+01  0.193551D-01 -0.165129D+01
                56            57            58            59            60 
      1  -0.339775D+01  0.647356D+00 -0.248917D+01 -0.236829D+02 -0.212791D+01
      2   0.713047D+01  0.101669D+01  0.151274D+01  0.382511D+02 -0.378560D+01
      3  -0.373272D+01 -0.166405D+01  0.976436D+00 -0.145682D+02  0.591351D+01
      4  -0.255060D+01 -0.159912D+01  0.502280D+01 -0.452245D+01  0.111630D+01
      5  -0.849362D+00  0.291304D+01  0.611720D+00  0.661956D-01 -0.225742D+01
      6   0.472064D+00  0.148123D+01  0.121594D+01 -0.211043D+01  0.945042D+01
                61            62            63            64            65 
      1   0.213258D+00 -0.611002D+00 -0.686788D+01 -0.406677D+00  0.929589D+00
      2   0.316100D+00  0.289162D+01  0.121912D+01 -0.425859D+01 -0.371188D+00
      3  -0.529358D+00 -0.228062D+01  0.564877D+01  0.466526D+01 -0.558401D+00
      4  -0.125304D+01  0.805592D+00  0.265106D+00  0.115580D+01  0.191561D+01
      5   0.278237D+01 -0.124300D+01  0.101729D+00  0.404553D+00 -0.362512D+00
      6   0.798564D+00  0.905331D+01  0.219493D+00 -0.150722D+01  0.174981D+00
                66            67            68            69            70 
      1   0.468590D+00 -0.899741D-01 -0.379757D+01  0.804649D+00  0.152402D+01
      2  -0.229298D-01  0.546116D+00  0.198029D+00 -0.316002D+01  0.124780D+00
      3  -0.445660D+00 -0.456142D+00  0.359954D+01  0.235537D+01 -0.164880D+01
      4  -0.158085D+01  0.170776D+01  0.109106D-01  0.667295D+00 -0.153776D+01
      5   0.684977D+01  0.317956D+00  0.392023D+00 -0.344823D-02  0.581099D+01
      6  -0.861300D-01  0.167533D+00 -0.193210D+01  0.655150D+01  0.611878D+00
                71            72            73            74            75 
      1   0.326481D+01 -0.217464D+02  0.863477D+00  0.280138D+01 -0.317813D+00
      2  -0.255935D+01 -0.204285D+02  0.436450D+01 -0.913115D+01  0.184499D+01
      3  -0.705459D+00  0.421749D+02 -0.522798D+01  0.632977D+01 -0.152717D+01
      4   0.153029D+01  0.160487D+01 -0.962082D+01  0.131144D+02 -0.564933D+01
      5   0.217251D+00  0.458353D+01  0.340845D+01 -0.305585D+01  0.394915D+01
      6   0.629622D+01 -0.120466D+02 -0.570236D+01  0.436806D+01 -0.498666D+01
                76            77            78            79            80 
      1   0.382383D+01 -0.151600D+02  0.521256D+01 -0.420163D+00  0.873233D+01
      2  -0.829019D+01  0.283784D+02 -0.946281D+01  0.248565D+01 -0.148486D+02
      3   0.446637D+01 -0.132184D+02  0.425024D+01 -0.206549D+01  0.611626D+01
      4   0.984126D+01 -0.144878D+02  0.507928D+01 -0.753074D+01  0.846648D+01
      5  -0.224740D+01  0.376044D+01 -0.350430D+01  0.444023D+01 -0.517758D+01
      6   0.342345D+01 -0.126214D+02  0.105571D+02 -0.609767D+01  0.147241D+02
                81            82            83            84            85 
      1  -0.810299D+01 -0.816937D+00  0.125255D+01  0.104601D+00  0.243381D+01
      2   0.763255D+01  0.202290D+00 -0.264848D+01  0.306603D+00 -0.363448D+01
      3   0.470444D+00  0.614647D+00  0.139592D+01 -0.411204D+00  0.120067D+01
      4  -0.725737D+01 -0.362783D+01  0.682713D+01  0.525273D+01  0.491082D+01
      5   0.437648D+01 -0.327451D+01  0.302262D+01  0.661104D+01  0.161558D+01
      6  -0.108322D+02  0.583610D+01 -0.244929D+01 -0.459097D+01 -0.199086D+01
                86            87            88            89            90 
      1  -0.962416D+01 -0.705026D+01  0.134917D+01 -0.115485D+02 -0.173514D+02
      2   0.112294D+02  0.634033D+01  0.108575D+01  0.864425D+01  0.334711D+01
      3  -0.160523D+01  0.709929D+00 -0.243492D+01  0.290428D+01  0.140042D+02
      4  -0.579950D+01 -0.269507D+01  0.627350D+01 -0.542415D+01 -0.759989D+01
      5  -0.302982D+01 -0.295880D+01  0.737139D+01 -0.615363D+01 -0.103674D+02
      6   0.107877D+02  0.129431D+02 -0.650929D+01  0.196217D+02  0.275841D+02
                91            92            93            94            95 
      1   0.641834D+01  0.260763D+01 -0.744476D+00 -0.727256D+00 -0.544233D+00
      2   0.279947D+01 -0.102413D+02 -0.896211D+00 -0.320968D+01  0.543916D+01
      3  -0.921781D+01  0.763364D+01  0.164069D+01  0.393694D+01 -0.489493D+01
      4  -0.205228D+02  0.153311D+02  0.231879D+01  0.774320D+01 -0.649650D+01
      5  -0.605742D+00  0.513505D+00  0.214585D+01  0.156347D+00 -0.429405D+00
      6   0.197427D+01 -0.512538D+00 -0.377943D+01 -0.656738D+00  0.415395D+00
                96            97            98            99           100 
      1   0.105070D+00 -0.144564D+00 -0.908827D+00 -0.717842D+00  0.484361D+01
      2   0.237879D+00 -0.827782D+00  0.171853D+01  0.289139D+00  0.926098D+01
      3  -0.342950D+00  0.972347D+00 -0.809703D+00  0.428703D+00 -0.141046D+02
      4  -0.803336D+00  0.297524D+01 -0.202975D+01 -0.297967D+01  0.868983D+01
      5  -0.847282D+00  0.310302D+01 -0.205531D+01 -0.742236D+00 -0.110037D+02
      6   0.204777D+01 -0.268284D+01  0.344036D+01  0.158957D+01  0.977571D+01
               101           102           103           104           105 
      1   0.917995D+01 -0.155126D+02  0.115273D+02 -0.126507D+01  0.150270D+01
      2  -0.635784D+01  0.338713D+01 -0.935576D+01 -0.633867D+00 -0.784983D+01
      3  -0.282211D+01  0.121254D+02 -0.217157D+01  0.189894D+01  0.634713D+01
      4  -0.580898D+01  0.315739D+01 -0.864962D+01 -0.118308D+02 -0.805634D+01
      5   0.997772D+01 -0.126571D+02  0.107358D+02 -0.129884D+02  0.606844D+01
      6  -0.755296D+01  0.185817D+01 -0.100415D+02 -0.134523D+02 -0.741988D+01
               106           107           108           109           110 
      1  -0.139415D+02 -0.867801D-01 -0.383775D+01 -0.122077D+02  0.172495D+02
      2   0.236759D+01 -0.670536D+01 -0.644133D+01  0.784892D+00 -0.982230D+01
      3   0.115739D+02  0.679214D+01  0.102791D+02  0.114228D+02 -0.742723D+01
      4   0.196192D+01 -0.458819D+01  0.552377D+01  0.167128D+02 -0.170547D+02
      5  -0.116694D+02  0.529162D+01  0.134421D+02 -0.178395D+02 -0.771808D+00
      6   0.210303D+01 -0.586165D+01  0.740243D+01 -0.416384D+01  0.343894D+01
               111           112           113           114           115 
      1  -0.162222D+02  0.215153D+02 -0.161182D+02  0.468459D+01 -0.209516D+02
      2   0.951784D+01 -0.148510D+02  0.380630D-01  0.188244D+00  0.904928D+01
      3   0.670432D+01 -0.666432D+01  0.160801D+02 -0.487283D+01  0.119023D+02
      4   0.143611D+01 -0.237700D+02 -0.231765D+02 -0.405376D+01  0.261886D+01
      5   0.836997D+01 -0.260900D+00 -0.233143D+01  0.682991D+01  0.670630D+01
      6   0.184638D+00  0.482129D+01  0.527482D+01  0.157556D+01  0.898732D+00
               116           117           118           119           120 
      1   0.523621D+01  0.156697D+02 -0.797520D+01 -0.245478D+01  0.133472D+02
      2  -0.914352D+00  0.711566D+01 -0.302985D+01  0.524180D+00  0.537807D+01
      3  -0.432186D+01 -0.227854D+02  0.110051D+02  0.193060D+01 -0.187253D+02
      4  -0.641095D+01  0.809432D+01 -0.147364D+01  0.119702D+01  0.302268D+00
      5   0.682716D+01  0.245585D+02 -0.111517D+02 -0.277013D+01  0.691417D+01
      6   0.167846D+01 -0.231314D+01 -0.309599D+01 -0.406981D+01  0.155628D+01
               121           122           123           124           125 
      1  -0.326199D+01 -0.355438D+01  0.318178D+01  0.948739D+01  0.204260D+01
      2   0.120289D+01  0.772369D+00  0.188482D+01  0.317638D+01  0.135265D+01
      3   0.205910D+01  0.278201D+01 -0.506659D+01 -0.126638D+02 -0.339525D+01
      4   0.216847D+01  0.115125D+01  0.100509D+01  0.589044D+00  0.604743D+00
      5  -0.316168D+01 -0.332516D+00 -0.465291D+00  0.834264D+01  0.338753D+00
      6  -0.250720D+01 -0.114174D+01  0.600686D+01  0.132706D+01  0.509586D+01
               126           127           128           129           130 
      1  -0.145984D+02  0.142318D+01  0.141600D+01  0.196231D+01  0.210505D+01
      2  -0.771104D+01 -0.942658D+00  0.473735D+00 -0.100283D+01  0.175353D+00
      3   0.223095D+02 -0.480522D+00 -0.188974D+01 -0.959472D+00 -0.228040D+01
      4  -0.988616D+00  0.430926D+01  0.772649D+01  0.204098D+01  0.952757D+01
      5  -0.535438D+01  0.469242D+01  0.356878D+01  0.532472D+01  0.616926D+01
      6  -0.263014D+01  0.280836D+01  0.469959D+01  0.203024D+01  0.658852D+01
               131           132           133           134           135 
      1  -0.877884D+01 -0.638696D+01  0.853531D+00 -0.414952D+01 -0.418888D+01
      2   0.133520D+02 -0.223676D+00 -0.869634D+00  0.199048D+00  0.602949D+00
      3  -0.457321D+01  0.661064D+01  0.161031D-01  0.395047D+01  0.358593D+01
      4   0.195509D+02  0.714026D+01  0.989993D+00  0.372599D+01  0.327576D+01
      5   0.971581D+01  0.780203D+01  0.403517D+01  0.385913D+01  0.254051D+01
      6   0.246409D+02  0.129357D+02  0.186445D+01  0.992977D+01  0.612488D+01
               136           137           138           139           140 
      1   0.189511D+02 -0.548309D+01  0.579415D+01 -0.763613D+01  0.218184D+01
      2  -0.171010D+02  0.428589D+01 -0.111831D+02  0.608932D+01 -0.127877D+01
      3  -0.185006D+01  0.119720D+01  0.538897D+01  0.154681D+01 -0.903067D+00
      4  -0.832263D+01  0.822821D+01 -0.403205D+01  0.906216D+01 -0.742692D+01
      5   0.252753D+02 -0.888473D+01  0.198659D+02 -0.122299D+02  0.970002D+01
      6  -0.762067D+01  0.759774D+01 -0.484577D+01  0.794197D+01 -0.705985D+01
               141           142           143           144           145 
      1   0.278850D+00  0.393293D+01  0.397359D+00  0.282883D+00  0.152897D+00
      2   0.580342D+01 -0.817929D+01  0.356017D+01 -0.946619D+01 -0.235634D+01
      3  -0.608227D+01  0.424636D+01 -0.395753D+01  0.918330D+01  0.220344D+01
      4   0.571532D+01 -0.252043D+01  0.324543D+01 -0.426620D+01 -0.209245D+01
      5  -0.103880D+02  0.151656D+02 -0.620874D+01  0.141401D+02 -0.210828D+01
      6   0.756921D+01 -0.401419D+01  0.535139D+01 -0.582345D+01  0.736015D+00
               146           147           148           149           150 
      1  -0.248053D+01 -0.471041D+01 -0.400142D+01 -0.721252D+00 -0.203866D+01
      2   0.130990D+01  0.173937D+01  0.267434D+01 -0.490371D+00 -0.150452D+01
      3   0.117063D+01  0.297104D+01  0.132707D+01  0.121162D+01  0.354318D+01
      4   0.199003D+01 -0.217467D+00  0.412341D+01  0.330755D+00 -0.432588D+01
      5   0.598086D+00  0.455523D+01  0.178854D+01 -0.406294D+01 -0.477421D+01
      6   0.375813D+00  0.166667D+00 -0.995882D+00  0.127737D+01  0.607978D+01
               151           152           153           154           155 
      1  -0.637306D+01 -0.181975D+01 -0.157028D+02  0.526410D+02 -0.159667D+02
      2   0.661126D+01 -0.812247D+00 -0.190988D+02 -0.243936D+02  0.653915D+01
      3  -0.238199D+00  0.263199D+01  0.348016D+02 -0.282474D+02  0.942760D+01
      4  -0.626048D+00 -0.516896D+01 -0.375417D+01 -0.172162D+02  0.150272D+02
      5   0.121598D+02 -0.291287D+01 -0.393171D+02  0.202710D+00 -0.266270D+00
      6   0.147370D+00  0.622857D+01  0.358716D+00  0.277764D+01 -0.265450D+01
               156           157           158           159           160 
      1   0.648658D+01 -0.240899D+02  0.126570D+02 -0.227298D+01  0.153197D+02
      2  -0.239347D+01  0.102746D+02 -0.169565D+01 -0.275292D+00 -0.679982D+01
      3  -0.409310D+01  0.138154D+02 -0.109614D+02  0.254827D+01 -0.851986D+01
      4  -0.219015D+01  0.189692D+02 -0.128652D+02  0.291044D+01 -0.441676D+01
      5   0.745278D+01  0.853074D+00  0.110457D+01 -0.640688D+01  0.740206D+01
      6  -0.613811D-01 -0.261638D+01  0.118391D+01  0.128349D+01 -0.592433D+00
               161           162           163           164           165 
      1  -0.353942D+01  0.475143D+01  0.122750D+02  0.689360D+01  0.134100D+01
      2   0.669006D+00 -0.415084D+01 -0.258849D+01 -0.774798D+00 -0.687503D+00
      3   0.287041D+01 -0.600589D+00 -0.968648D+01 -0.611880D+01 -0.653496D+00
      4   0.545924D+01 -0.457455D+01  0.102598D+02  0.154211D+02 -0.480376D+00
      5  -0.424915D+01  0.299233D+01 -0.647089D+00 -0.176524D+01  0.230140D+01
      6   0.833159D+00 -0.304707D+00 -0.162274D+01 -0.293166D+01  0.907723D+00
               166           167           168           169           170 
      1   0.114289D+02  0.414925D+01 -0.561852D+00  0.465477D+01  0.321848D+00
      2  -0.622494D+00  0.133436D+02  0.139848D+01 -0.134923D+01  0.132254D+01
      3  -0.108064D+02 -0.174928D+02 -0.836633D+00 -0.330554D+01 -0.164438D+01
      4   0.226147D+02  0.380791D+02 -0.776211D+00  0.128906D+01  0.295497D+01
      5  -0.408258D+01 -0.181052D+01  0.720352D+01  0.308610D+01  0.446382D+01
      6  -0.430804D+01 -0.954216D+01  0.470897D+01  0.161915D+01  0.372645D+01
               171 
      1  -0.100862D+01
      2  -0.178490D-01
      3   0.102647D+01
      4   0.407552D+01
      5  -0.189252D+01
      6  -0.116278D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:19:27 2021, MaxMem= 10737418240 cpu:           23760.0 elap:            1487.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53353 -19.49272 -19.48057 -10.58278 -10.51313
 Alpha  occ. eigenvalues --  -10.51245 -10.47478 -10.44593 -10.43892  -1.26887
 Alpha  occ. eigenvalues --   -1.19048  -1.17535  -0.98707  -0.87668  -0.85385
 Alpha  occ. eigenvalues --   -0.84484  -0.72486  -0.70655  -0.66450  -0.64828
 Alpha  occ. eigenvalues --   -0.61027  -0.60091  -0.58038  -0.55862  -0.55537
 Alpha  occ. eigenvalues --   -0.53975  -0.51201  -0.50976  -0.49480  -0.47668
 Alpha  occ. eigenvalues --   -0.46163  -0.45329  -0.42374  -0.40802  -0.39548
 Alpha virt. eigenvalues --   -0.01611  -0.00369  -0.00086   0.00321   0.01836
 Alpha virt. eigenvalues --    0.01971   0.02223   0.02407   0.03175   0.04749
 Alpha virt. eigenvalues --    0.05586   0.06813   0.06997   0.07351   0.08132
 Alpha virt. eigenvalues --    0.08396   0.08630   0.10483   0.11011   0.11057
 Alpha virt. eigenvalues --    0.11822   0.12090   0.12618   0.12909   0.13718
 Alpha virt. eigenvalues --    0.14391   0.14579   0.14998   0.15880   0.16168
 Alpha virt. eigenvalues --    0.16335   0.17356   0.18034   0.19955   0.20779
 Alpha virt. eigenvalues --    0.21246   0.22589   0.23203   0.23830   0.25145
 Alpha virt. eigenvalues --    0.25728   0.26303   0.26939   0.27370   0.27433
 Alpha virt. eigenvalues --    0.28337   0.28560   0.29261   0.30132   0.30953
 Alpha virt. eigenvalues --    0.31305   0.32217   0.32558   0.33567   0.33909
 Alpha virt. eigenvalues --    0.34339   0.35234   0.35737   0.36645   0.37398
 Alpha virt. eigenvalues --    0.38049   0.38887   0.39923   0.40204   0.40808
 Alpha virt. eigenvalues --    0.42188   0.42795   0.43551   0.43686   0.43880
 Alpha virt. eigenvalues --    0.44976   0.45355   0.45738   0.47077   0.48437
 Alpha virt. eigenvalues --    0.48835   0.49322   0.50010   0.51623   0.52405
 Alpha virt. eigenvalues --    0.53224   0.54106   0.54959   0.55658   0.56304
 Alpha virt. eigenvalues --    0.56503   0.57156   0.57826   0.58321   0.59431
 Alpha virt. eigenvalues --    0.59914   0.61054   0.62135   0.62986   0.64424
 Alpha virt. eigenvalues --    0.64989   0.65377   0.67015   0.67688   0.68003
 Alpha virt. eigenvalues --    0.68522   0.69121   0.70781   0.71048   0.71293
 Alpha virt. eigenvalues --    0.73098   0.73477   0.74596   0.75161   0.75449
 Alpha virt. eigenvalues --    0.75979   0.77749   0.78090   0.78924   0.80484
 Alpha virt. eigenvalues --    0.81206   0.81637   0.82459   0.83271   0.84653
 Alpha virt. eigenvalues --    0.85921   0.88117   0.89456   0.90470   0.91409
 Alpha virt. eigenvalues --    0.92125   0.93586   0.95178   0.95629   0.97777
 Alpha virt. eigenvalues --    0.98167   0.99273   1.00549   1.04435   1.05343
 Alpha virt. eigenvalues --    1.08046   1.09756   1.10385   1.11540   1.12750
 Alpha virt. eigenvalues --    1.14476   1.16856   1.17978   1.19730   1.20847
 Alpha virt. eigenvalues --    1.20989   1.21977   1.25201   1.26592   1.27129
 Alpha virt. eigenvalues --    1.28492   1.29934   1.31130   1.32995   1.33616
 Alpha virt. eigenvalues --    1.37160   1.39282   1.42162   1.43831   1.44668
 Alpha virt. eigenvalues --    1.46265   1.47566   1.51824   1.52735   1.54713
 Alpha virt. eigenvalues --    1.56824   1.58052   1.58544   1.61881   1.63584
 Alpha virt. eigenvalues --    1.65011   1.65684   1.66577   1.69197   1.70510
 Alpha virt. eigenvalues --    1.70936   1.74424   1.75361   1.76326   1.79817
 Alpha virt. eigenvalues --    1.80625   1.80671   1.82533   1.82940   1.84507
 Alpha virt. eigenvalues --    1.85675   1.87496   1.89275   1.89690   1.92428
 Alpha virt. eigenvalues --    1.94350   1.95603   1.97763   2.00463   2.00942
 Alpha virt. eigenvalues --    2.02185   2.04855   2.07756   2.09231   2.10140
 Alpha virt. eigenvalues --    2.11288   2.11807   2.13889   2.14873   2.19061
 Alpha virt. eigenvalues --    2.20695   2.22034   2.23180   2.24522   2.27034
 Alpha virt. eigenvalues --    2.28550   2.31974   2.32937   2.34859   2.36548
 Alpha virt. eigenvalues --    2.37955   2.39966   2.41266   2.42868   2.44084
 Alpha virt. eigenvalues --    2.45671   2.47798   2.48952   2.52633   2.55099
 Alpha virt. eigenvalues --    2.58662   2.59866   2.62192   2.63829   2.65935
 Alpha virt. eigenvalues --    2.68757   2.69065   2.72635   2.75291   2.80494
 Alpha virt. eigenvalues --    2.83044   2.87366   2.92370   2.95479   3.02508
 Alpha virt. eigenvalues --    3.07901   3.09289   3.17560   3.23000   3.35304
 Alpha virt. eigenvalues --    3.42828   3.45658   3.49387   3.50385   3.52624
 Alpha virt. eigenvalues --    3.53643   3.55841   3.58253   3.60046   3.63312
 Alpha virt. eigenvalues --    3.68633   3.71626   3.76818   3.83988   3.97644
 Alpha virt. eigenvalues --    4.00307   4.14536
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.236654  -1.581484   0.527648  -0.500022   0.075423   0.650872
     2  C   -1.581484   8.529904  -1.870670   0.103424   0.100660  -0.048738
     3  C    0.527648  -1.870670  10.219439  -0.198522   0.002443  -0.005611
     4  C   -0.500022   0.103424  -0.198522   5.580180   0.259146   0.022814
     5  O    0.075423   0.100660   0.002443   0.259146   8.130340  -0.058423
     6  O    0.650872  -0.048738  -0.005611   0.022814  -0.058423   7.657690
     7  O   -0.052360   0.346777  -0.205916   0.050515  -0.003659  -0.007344
     8  H   -0.150515  -0.607838   0.609937  -0.077981   0.002314   0.000515
     9  H   -0.042973   0.189013  -0.285819   0.179156  -0.170333  -0.006787
    10  H    0.122050  -0.079763   0.271025  -0.154711  -0.053067  -0.007868
    11  H   -0.071645  -0.076443   0.089452  -0.010838   0.005240   0.015496
    12  C    0.099122  -0.476634  -0.052054  -0.273488   0.006962   0.002764
    13  C   -0.212903   0.453072  -1.350903  -0.200272  -0.018891   0.011414
    14  H   -0.067542  -0.150019   0.296391  -0.066573   0.018963   0.016718
    15  H   -0.001105   0.149529  -0.025107  -0.073522  -0.004090  -0.000799
    16  H    0.042222  -0.087647   0.082255   0.108907  -0.004608  -0.003605
    17  H    0.044917  -0.040538   0.174989   0.049657  -0.005156  -0.001186
    18  H   -0.025940   0.057710   0.004576  -0.029553   0.011806   0.000976
    19  H   -0.023668   0.008019   0.027811  -0.009381  -0.003958   0.000323
               7          8          9         10         11         12
     1  C   -0.052360  -0.150515  -0.042973   0.122050  -0.071645   0.099122
     2  C    0.346777  -0.607838   0.189013  -0.079763  -0.076443  -0.476634
     3  C   -0.205916   0.609937  -0.285819   0.271025   0.089452  -0.052054
     4  C    0.050515  -0.077981   0.179156  -0.154711  -0.010838  -0.273488
     5  O   -0.003659   0.002314  -0.170333  -0.053067   0.005240   0.006962
     6  O   -0.007344   0.000515  -0.006787  -0.007868   0.015496   0.002764
     7  O    7.971404  -0.131193   0.001545   0.001393   0.322998   0.000684
     8  H   -0.131193   1.772557   0.020087  -0.017218   0.036318   0.094390
     9  H    0.001545   0.020087   2.084584  -0.598813  -0.000212  -0.178333
    10  H    0.001393  -0.017218  -0.598813   1.997615   0.000354   0.140850
    11  H    0.322998   0.036318  -0.000212   0.000354   0.559503  -0.015619
    12  C    0.000684   0.094390  -0.178333   0.140850  -0.015619   5.442778
    13  C    0.047288  -0.183092   0.178735  -0.255437  -0.014799  -0.385834
    14  H    0.026991   0.008599  -0.036053   0.028417  -0.006328   0.128249
    15  H   -0.057856   0.029588   0.029385  -0.019821  -0.000630   0.155873
    16  H    0.016717  -0.012886  -0.076125   0.031460   0.002861   0.029283
    17  H    0.023624  -0.051254   0.011301  -0.033745   0.000971  -0.036564
    18  H   -0.007119   0.011220  -0.003342  -0.007338  -0.000451   0.062609
    19  H    0.001458  -0.024679   0.005743  -0.004349  -0.002531  -0.035276
              13         14         15         16         17         18
     1  C   -0.212903  -0.067542  -0.001105   0.042222   0.044917  -0.025940
     2  C    0.453072  -0.150019   0.149529  -0.087647  -0.040538   0.057710
     3  C   -1.350903   0.296391  -0.025107   0.082255   0.174989   0.004576
     4  C   -0.200272  -0.066573  -0.073522   0.108907   0.049657  -0.029553
     5  O   -0.018891   0.018963  -0.004090  -0.004608  -0.005156   0.011806
     6  O    0.011414   0.016718  -0.000799  -0.003605  -0.001186   0.000976
     7  O    0.047288   0.026991  -0.057856   0.016717   0.023624  -0.007119
     8  H   -0.183092   0.008599   0.029588  -0.012886  -0.051254   0.011220
     9  H    0.178735  -0.036053   0.029385  -0.076125   0.011301  -0.003342
    10  H   -0.255437   0.028417  -0.019821   0.031460  -0.033745  -0.007338
    11  H   -0.014799  -0.006328  -0.000630   0.002861   0.000971  -0.000451
    12  C   -0.385834   0.128249   0.155873   0.029283  -0.036564   0.062609
    13  C    6.138782  -0.105825   0.074598   0.034025  -0.047636   0.105650
    14  H   -0.105825   2.019905  -0.487298  -0.435739  -0.025390  -0.000145
    15  H    0.074598  -0.487298   2.014826  -0.595687   0.015756   0.032521
    16  H    0.034025  -0.435739  -0.595687   2.089447   0.020582  -0.061527
    17  H   -0.047636  -0.025390   0.015756   0.020582   2.057308  -0.452966
    18  H    0.105650  -0.000145   0.032521  -0.061527  -0.452966   1.816099
    19  H    0.310840   0.022059  -0.076245   0.018672  -0.449568  -0.426671
              19
     1  C   -0.023668
     2  C    0.008019
     3  C    0.027811
     4  C   -0.009381
     5  O   -0.003958
     6  O    0.000323
     7  O    0.001458
     8  H   -0.024679
     9  H    0.005743
    10  H   -0.004349
    11  H   -0.002531
    12  C   -0.035276
    13  C    0.310840
    14  H    0.022059
    15  H   -0.076245
    16  H    0.018672
    17  H   -0.449568
    18  H   -0.426671
    19  H    1.727696
 Mulliken charges:
               1
     1  C   -0.068751
     2  C    1.081669
     3  C   -2.311363
     4  C    1.241064
     5  O   -0.291112
     6  O   -0.239221
     7  O   -0.345948
     8  H   -0.328867
     9  H   -0.300758
    10  H   -0.361032
    11  H    0.166304
    12  C    1.290239
    13  C    1.421188
    14  H   -0.185379
    15  H   -0.159916
    16  H   -0.198607
    17  H   -0.255103
    18  H   -0.088112
    19  H   -0.066295
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.068751
     2  C    0.752802
     3  C   -2.311363
     4  C    0.579274
     5  O   -0.291112
     6  O   -0.239221
     7  O   -0.179644
    12  C    0.746338
    13  C    1.011678
 Electronic spatial extent (au):  <R**2>=           1087.1855
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7188    Y=             -0.8956    Z=             -0.7917  Tot=              3.9062
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.9518   YY=            -56.4440   ZZ=            -52.0022
   XY=             -4.6185   XZ=              0.9205   YZ=              0.7641
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.4858   YY=              0.0219   ZZ=              4.4638
   XY=             -4.6185   XZ=              0.9205   YZ=              0.7641
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             17.2676  YYY=             -3.5991  ZZZ=             -2.9392  XYY=             -3.1978
  XXY=              6.5434  XXZ=             -1.0813  XZZ=             -4.0860  YZZ=             -0.6397
  YYZ=              1.7405  XYZ=             -1.2954
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -808.6733 YYYY=           -426.9178 ZZZZ=           -235.3218 XXXY=             -9.7182
 XXXZ=              6.8291 YYYX=            -25.7478 YYYZ=              5.4282 ZZZX=             -1.7489
 ZZZY=              0.0678 XXYY=           -179.7271 XXZZ=           -162.0503 YYZZ=           -108.7539
 XXYZ=             -0.3500 YYXZ=              0.3126 ZZXY=             -1.2188
 N-N= 4.972901348258D+02 E-N=-2.069337384151D+03  KE= 4.570522700810D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:19:28 2021, MaxMem= 10737418240 cpu:               6.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8937    0.8882       -2.1489   -2.1551
 2     -0.8937   -0.8882       -0.3930   -0.3898       -6.0978   -6.0932
 3      2.1489    2.1551        9.5345    9.5330        0.3958    0.3898
 4      0.3930    0.3898        0.0000    0.0000        2.1513    2.1551
 5     -3.4367   -3.4398       -2.1513   -2.1551        0.8892    0.8882
 6     -0.3958   -0.3898       -0.8892   -0.8882       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.6647   -2.6647       -6.4652   -6.4652
 2      1.1694    1.1694       -0.0000    0.0000       -6.4652   -6.4652
 3      1.1694    1.1694       -2.6647   -2.6647       -0.0000    0.0000
 4     -2.6647   -2.6647       -1.1694   -1.1694      -18.2796  -18.2796
 5      6.4652    6.4652       28.5989   28.5989        1.1694    1.1694
 6    -10.3193  -10.3193       -6.4652   -6.4652        2.6647    2.6647
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2208    0.0000       -3.6459   -3.5530        8.8255    8.6202
 2      3.5476    3.5530        1.7956    1.5592       24.3575   24.3728
 3     -8.7469   -8.6202      -38.2523  -38.1319       -1.3004   -1.5592
 4     -1.5371   -1.5592       -0.0804    0.0000       -8.4958   -8.6202
 5     13.8264   13.7591        8.4219    8.6202       -3.6449   -3.5530
 6      1.3709    1.5592        3.4139    3.5530        0.1096    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1878    0.0000      -14.5024  -14.2103       -2.4364   -2.2311
 2     14.3142   14.2103       16.4995   16.0030       -3.2664   -3.6309
 3      2.0657    2.2311        1.7299    1.6714      -15.4658  -16.0030
 4    -16.0926  -16.0030        0.0573    0.0000        1.9936    2.2311
 5      2.2077    1.9595       -2.8397   -2.2311      -13.8437  -14.2103
 6     16.1257   16.0030       14.2827   14.2103        0.6668    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -5.8174   -5.4523       -6.1830   -6.1913        4.0033    3.6599
 2    -29.7552  -29.2725      -20.4368  -20.4569        3.3905    3.6599
 3    -29.5999  -29.2725       -6.0278   -6.1913        6.1382    6.2056
 4     14.3996   14.2656       24.0019   23.8202       -0.7929   -1.3750
 5      2.1292    2.5457       -2.1684   -2.0797      -23.5815  -23.8202
 6      3.6686    3.4547       -2.8731   -2.5457      -13.7204  -14.2656
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.5721                 0.6855                 0.1522
  Dep-P Fr= 1--      0.7360                 0.7269                 0.7091
  Dep-U Fr= 1--      0.8479                 0.8419                 0.8298
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0808                 0.0962                 0.0210
 AlphaG Fr= 1--     -0.0001                -0.0015                -0.0012
 Gamma2 Fr= 1--     -0.0116                -0.1257                -0.0085
 Delta2 Fr= 1--     -0.0029                -0.0513                 0.0343
 Raman1 Fr= 1--       2.288                  2.742                  0.609
 ROA1   Fr= 1--      -1.205                -13.707                  0.286
 CID1   Fr= 1--      -0.527                 -4.999                  0.469
 Raman2 Fr= 1--       0.970                  1.154                  0.253
 ROA2   Fr= 1--      -0.255                 -2.606                 -0.478
 CID2   Fr= 1--      -0.263                 -2.257                 -1.893
 Raman3 Fr= 1--       1.940                  2.308                  0.505
 ROA3   Fr= 1--      -1.205                -13.707                  0.286
 CID3   Fr= 1--      -0.621                 -5.938                  0.565
 RC180  Fr= 1--       0.696                  0.684                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1384                 0.1023                 0.2862
  Dep-P Fr= 1--      0.6686                 0.4003                 0.3046
  Dep-U Fr= 1--      0.8014                 0.5718                 0.4669
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0029
 Beta2  Fr= 1--      0.0185                 0.0097                 0.0223
 AlphaG Fr= 1--      0.0024                 0.0051                -0.0048
 Gamma2 Fr= 1--     -0.1101                -0.0650                 0.0341
 Delta2 Fr= 1--     -0.1408                -0.0140                -0.0074
 Raman1 Fr= 1--       0.554                  0.409                  1.145
 ROA1   Fr= 1--     -15.076                 -6.691                  3.042
 CID1   Fr= 1--     -27.236                -16.357                  2.657
 Raman2 Fr= 1--       0.222                  0.117                  0.267
 ROA2   Fr= 1--      -1.517                 -1.449                  0.878
 CID2   Fr= 1--      -6.838                -12.395                  3.286
 Raman3 Fr= 1--       0.444                  0.234                  0.535
 ROA3   Fr= 1--     -15.076                 -6.691                  3.042
 CID3   Fr= 1--     -33.988                -28.607                  5.691
 RC180  Fr= 1--       0.603                  0.144                 -0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      1.0550                 0.7207                 0.7611
  Dep-P Fr= 1--      0.3524                 0.6255                 0.7233
  Dep-U Fr= 1--      0.5211                 0.7696                 0.8394
 Alpha2 Fr= 1--      0.0092                 0.0016                 0.0003
 Beta2  Fr= 1--      0.0916                 0.0924                 0.1065
 AlphaG Fr= 1--     -0.0054                 0.0017                -0.0059
 Gamma2 Fr= 1--     -0.0779                -0.2155                 0.0461
 Delta2 Fr= 1--     -0.0400                -0.0619                 0.0331
 Raman1 Fr= 1--       4.220                  2.883                  3.045
 ROA1   Fr= 1--      -8.756                -22.666                  5.484
 CID1   Fr= 1--      -2.075                 -7.863                  1.801
 Raman2 Fr= 1--       1.100                  1.109                  1.278
 ROA2   Fr= 1--      -1.550                 -4.676                  0.841
 CID2   Fr= 1--      -1.409                 -4.215                  0.658
 Raman3 Fr= 1--       2.199                  2.218                  2.556
 ROA3   Fr= 1--      -8.756                -22.666                  5.484
 CID3   Fr= 1--      -3.981                -10.217                  2.146
 RC180  Fr= 1--       0.042                  0.539                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.6462                 1.7655                 3.2272
  Dep-P Fr= 1--      0.4961                 0.1957                 0.6273
  Dep-U Fr= 1--      0.6632                 0.3273                 0.7709
 Alpha2 Fr= 1--      0.0032                 0.0243                 0.0072
 Beta2  Fr= 1--      0.0714                 0.0963                 0.4147
 AlphaG Fr= 1--      0.0121                -0.0445                 0.0202
 Gamma2 Fr= 1--      0.1519                -0.0397                 0.6395
 Delta2 Fr= 1--     -0.0660                -0.0883                 0.2124
 Raman1 Fr= 1--       2.585                  7.062                 12.909
 ROA1   Fr= 1--      12.472                 -6.633                 68.187
 CID1   Fr= 1--       4.825                 -0.939                  5.282
 Raman2 Fr= 1--       0.857                  1.156                  4.976
 ROA2   Fr= 1--       4.174                 -0.246                 13.648
 CID2   Fr= 1--       4.870                 -0.213                  2.743
 Raman3 Fr= 1--       1.714                  2.311                  9.952
 ROA3   Fr= 1--      12.472                 -6.633                 68.187
 CID3   Fr= 1--       7.276                 -2.870                  6.852
 RC180  Fr= 1--       0.326                 -0.345                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.6640                 5.4748                12.4911
  Dep-P Fr= 1--      0.1191                 0.1622                 0.1123
  Dep-U Fr= 1--      0.2129                 0.2791                 0.2020
 Alpha2 Fr= 1--      0.0445                 0.0820                 0.2122
 Beta2  Fr= 1--      0.0945                 0.2547                 0.4205
 AlphaG Fr= 1--      0.0334                -0.0191                 0.0558
 Gamma2 Fr= 1--     -0.3573                 0.1383                -0.6044
 Delta2 Fr= 1--      0.1446                 0.1624                -0.3281
 Raman1 Fr= 1--      10.656                 21.899                 49.965
 ROA1   Fr= 1--     -29.671                 18.476                -68.524
 CID1   Fr= 1--      -2.784                  0.844                 -1.371
 Raman2 Fr= 1--       1.134                  3.056                  5.045
 ROA2   Fr= 1--      -9.732                  2.020                -11.882
 CID2   Fr= 1--      -8.581                  0.661                 -2.355
 Raman3 Fr= 1--       2.268                  6.113                 10.091
 ROA3   Fr= 1--     -29.671                 18.476                -68.524
 CID3   Fr= 1--     -13.081                  3.022                 -6.791
 RC180  Fr= 1--      -0.574                 -0.442                 -0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      8.6031                 1.9029                 2.4297
  Dep-P Fr= 1--      0.1261                 0.2346                 0.4868
  Dep-U Fr= 1--      0.2240                 0.3801                 0.6549
 Alpha2 Fr= 1--      0.1412                 0.0235                 0.0127
 Beta2  Fr= 1--      0.3211                 0.1205                 0.2652
 AlphaG Fr= 1--     -0.0581                 0.0168                -0.0296
 Gamma2 Fr= 1--     -0.1708                -0.2389                 1.0910
 Delta2 Fr= 1--      0.3904                -0.3652                 0.3501
 Raman1 Fr= 1--      34.412                  7.612                  9.719
 ROA1   Fr= 1--      -3.904                -34.620                115.941
 CID1   Fr= 1--      -0.113                 -4.548                 11.929
 Raman2 Fr= 1--       3.854                  1.447                  3.182
 ROA2   Fr= 1--      -7.222                 -2.812                 23.383
 CID2   Fr= 1--      -1.874                 -1.944                  7.348
 Raman3 Fr= 1--       7.707                  2.893                  6.364
 ROA3   Fr= 1--      -3.904                -34.620                115.941
 CID3   Fr= 1--      -0.507                -11.966                 18.217
 RC180  Fr= 1--      -0.552                 -0.240                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.7186                 1.5529                 2.1474
  Dep-P Fr= 1--      0.6810                 0.7472                 0.7296
  Dep-U Fr= 1--      0.8102                 0.8553                 0.8437
 Alpha2 Fr= 1--      0.0045                 0.0001                 0.0007
 Beta2  Fr= 1--      0.5021                 0.2214                 0.3020
 AlphaG Fr= 1--     -0.0021                -0.0002                 0.0018
 Gamma2 Fr= 1--     -0.5722                -0.0205                -1.1653
 Delta2 Fr= 1--     -0.7085                -0.0322                -0.4247
 Raman1 Fr= 1--      14.874                  6.211                  8.590
 ROA1   Fr= 1--     -77.604                 -3.000               -125.459
 CID1   Fr= 1--      -5.217                 -0.483                -14.606
 Raman2 Fr= 1--       6.026                  2.656                  3.623
 ROA2   Fr= 1--      -8.064                 -0.235                -24.569
 CID2   Fr= 1--      -1.338                 -0.088                 -6.781
 Raman3 Fr= 1--      12.051                  5.313                  7.247
 ROA3   Fr= 1--     -77.604                 -3.000               -125.459
 CID3   Fr= 1--      -6.439                 -0.565                -17.312
 RC180  Fr= 1--       0.620                  0.711                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.5304                 0.9326                 2.3591
  Dep-P Fr= 1--      0.7492                 0.6946                 0.4168
  Dep-U Fr= 1--      0.8566                 0.8198                 0.5884
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0164
 Beta2  Fr= 1--      0.2185                 0.1274                 0.2313
 AlphaG Fr= 1--      0.0010                 0.0015                -0.0306
 Gamma2 Fr= 1--      1.4144                -0.3020                -0.1612
 Delta2 Fr= 1--      0.1467                 0.1182                 0.4311
 Raman1 Fr= 1--       6.122                  3.731                  9.436
 ROA1   Fr= 1--     140.481                -25.207                 -1.683
 CID1   Fr= 1--      22.948                 -6.757                 -0.178
 Raman2 Fr= 1--       2.622                  1.529                  2.776
 ROA2   Fr= 1--      32.773                 -8.194                 -7.319
 CID2   Fr= 1--      12.499                 -5.359                 -2.636
 Raman3 Fr= 1--       5.244                  3.058                  5.552
 ROA3   Fr= 1--     140.481                -25.207                 -1.683
 CID3   Fr= 1--      26.789                 -8.243                 -0.303
 RC180  Fr= 1--       0.713                  0.640                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      4.2248                 2.8360                 1.3978
  Dep-P Fr= 1--      0.7494                 0.7054                 0.7397
  Dep-U Fr= 1--      0.8568                 0.8273                 0.8504
 Alpha2 Fr= 1--      0.0000                 0.0022                 0.0002
 Beta2  Fr= 1--      0.6033                 0.3910                 0.1981
 AlphaG Fr= 1--      0.0026                -0.0068                 0.0025
 Gamma2 Fr= 1--     -0.0218                 0.1726                 0.4957
 Delta2 Fr= 1--     -0.1891                -0.1428                 0.0360
 Raman1 Fr= 1--      16.899                 11.344                  5.591
 ROA1   Fr= 1--      -8.142                 12.004                 48.742
 CID1   Fr= 1--      -0.482                  1.058                  8.718
 Raman2 Fr= 1--       7.240                  4.692                  2.377
 ROA2   Fr= 1--       0.990                  5.285                 11.609
 CID2   Fr= 1--       0.137                  1.126                  4.883
 Raman3 Fr= 1--      14.479                  9.385                  4.754
 ROA3   Fr= 1--      -8.142                 12.004                 48.742
 CID3   Fr= 1--      -0.562                  1.279                 10.252
 RC180  Fr= 1--       0.714                  0.655                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      2.8388                 4.3829                 4.4063
  Dep-P Fr= 1--      0.7378                 0.6586                 0.7200
  Dep-U Fr= 1--      0.8491                 0.7942                 0.8372
 Alpha2 Fr= 1--      0.0006                 0.0072                 0.0023
 Beta2  Fr= 1--      0.4017                 0.5801                 0.6148
 AlphaG Fr= 1--     -0.0011                -0.0012                -0.0104
 Gamma2 Fr= 1--     -1.0332                -1.9190                 1.7917
 Delta2 Fr= 1--     -0.6738                -1.0056                 0.9139
 Raman1 Fr= 1--      11.355                 17.532                 17.625
 ROA1   Fr= 1--    -120.745               -216.406                201.252
 CID1   Fr= 1--     -10.634                -12.344                 11.419
 Raman2 Fr= 1--       4.821                  6.962                  7.378
 ROA2   Fr= 1--     -19.406                -38.012                 35.691
 CID2   Fr= 1--      -4.026                 -5.460                  4.837
 Raman3 Fr= 1--       9.641                 13.923                 14.756
 ROA3   Fr= 1--    -120.745               -216.406                201.252
 CID3   Fr= 1--     -12.523                -15.543                 13.638
 RC180  Fr= 1--       0.698                  0.588                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.7004                 2.0093                 0.9656
  Dep-P Fr= 1--      0.5442                 0.4959                 0.6916
  Dep-U Fr= 1--      0.7049                 0.6630                 0.8177
 Alpha2 Fr= 1--      0.0107                 0.0101                 0.0010
 Beta2  Fr= 1--      0.3172                 0.2220                 0.1316
 AlphaG Fr= 1--      0.0218                 0.0103                -0.0119
 Gamma2 Fr= 1--      1.4575                -0.3757                 0.6620
 Delta2 Fr= 1--      0.7740                 0.1030                 0.3131
 Raman1 Fr= 1--      10.802                  8.037                  3.862
 ROA1   Fr= 1--     164.692                -32.774                 73.575
 CID1   Fr= 1--      15.247                 -4.078                 19.050
 Raman2 Fr= 1--       3.807                  2.665                  1.579
 ROA2   Fr= 1--      28.789                 -9.842                 13.384
 CID2   Fr= 1--       7.562                 -3.693                  8.476
 Raman3 Fr= 1--       7.614                  5.329                  3.158
 ROA3   Fr= 1--     164.692                -32.774                 73.575
 CID3   Fr= 1--      21.631                 -6.150                 23.297
 RC180  Fr= 1--       0.410                  0.326                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.3532                 0.3464                 6.1590
  Dep-P Fr= 1--      0.2549                 0.6028                 0.7482
  Dep-U Fr= 1--      0.4062                 0.7522                 0.8560
 Alpha2 Fr= 1--      0.0041                 0.0009                 0.0002
 Beta2  Fr= 1--      0.0239                 0.0434                 0.8787
 AlphaG Fr= 1--     -0.0090                 0.0072                 0.0024
 Gamma2 Fr= 1--      0.0189                -0.2976                 0.2460
 Delta2 Fr= 1--      0.0095                -0.1844                -0.1207
 Raman1 Fr= 1--       1.413                  1.385                 24.636
 ROA1   Fr= 1--       2.122                -34.467                 19.755
 CID1   Fr= 1--       1.502                -24.878                  0.802
 Raman2 Fr= 1--       0.287                  0.521                 10.544
 ROA2   Fr= 1--       0.379                 -5.666                  6.869
 CID2   Fr= 1--       1.319                -10.874                  0.651
 Raman3 Fr= 1--       0.574                  1.042                 21.088
 ROA3   Fr= 1--       2.122                -34.467                 19.755
 CID3   Fr= 1--       3.698                -33.074                  0.937
 RC180  Fr= 1--      -0.188                  0.504                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      2.2919                 6.2196                 2.7031
  Dep-P Fr= 1--      0.6535                 0.7472                 0.7485
  Dep-U Fr= 1--      0.7904                 0.8553                 0.8562
 Alpha2 Fr= 1--      0.0040                 0.0003                 0.0001
 Beta2  Fr= 1--      0.3019                 0.8866                 0.3857
 AlphaG Fr= 1--     -0.0057                -0.0007                 0.0006
 Gamma2 Fr= 1--     -0.9367                 0.3131                -0.1979
 Delta2 Fr= 1--     -0.1547                 0.5379                -0.3453
 Raman1 Fr= 1--       9.168                 24.879                 10.813
 ROA1   Fr= 1--     -94.876                 47.266                -30.049
 CID1   Fr= 1--     -10.349                  1.900                 -2.779
 Raman2 Fr= 1--       3.623                 10.640                  4.629
 ROA2   Fr= 1--     -21.243                  3.210                 -1.987
 CID2   Fr= 1--      -5.863                  0.302                 -0.429
 Raman3 Fr= 1--       7.247                 21.279                  9.257
 ROA3   Fr= 1--     -94.876                 47.266                -30.049
 CID3   Fr= 1--     -13.093                  2.221                 -3.246
 RC180  Fr= 1--       0.581                  0.711                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      6.1467                19.0561                94.2028
  Dep-P Fr= 1--      0.6752                 0.2803                 0.1954
  Dep-U Fr= 1--      0.8061                 0.4379                 0.3270
 Alpha2 Fr= 1--      0.0081                 0.2071                 1.2948
 Beta2  Fr= 1--      0.8259                 1.3908                 5.1336
 AlphaG Fr= 1--      0.0201                -0.1966                -0.3831
 Gamma2 Fr= 1--      0.7775                -1.4585                -1.7034
 Delta2 Fr= 1--     -0.1830                -0.0330                -0.2381
 Raman1 Fr= 1--      24.587                 76.225                376.811
 ROA1   Fr= 1--      68.783               -141.076               -171.150
 CID1   Fr= 1--       2.798                 -1.851                 -0.454
 Raman2 Fr= 1--       9.910                 16.689                 61.603
 ROA2   Fr= 1--      20.124                -34.741                -38.978
 CID2   Fr= 1--       2.031                 -2.082                 -0.633
 Raman3 Fr= 1--      19.821                 33.378                123.206
 ROA3   Fr= 1--      68.783               -141.076               -171.150
 CID3   Fr= 1--       3.470                 -4.227                 -1.389
 RC180  Fr= 1--       0.612                 -0.124                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     93.9090               154.6326               218.3070
  Dep-P Fr= 1--      0.0093                 0.0204                 0.0501
  Dep-U Fr= 1--      0.0185                 0.0400                 0.0955
 Alpha2 Fr= 1--      2.0418                 3.2759                 4.3108
 Beta2  Fr= 1--      0.2899                 1.0308                 3.4742
 AlphaG Fr= 1--     -0.1323                -0.4287                 1.0145
 Gamma2 Fr= 1--      0.5647                -1.4182                 3.9340
 Delta2 Fr= 1--      0.0412                -0.7718                -3.6147
 Raman1 Fr= 1--     375.636                618.530                873.228
 ROA1   Fr= 1--      55.527               -160.847                261.990
 CID1   Fr= 1--       0.148                 -0.260                  0.300
 Raman2 Fr= 1--       3.479                 12.370                 41.691
 ROA2   Fr= 1--      13.222                -27.863                123.333
 CID2   Fr= 1--       3.800                 -2.252                  2.958
 Raman3 Fr= 1--       6.959                 24.740                 83.382
 ROA3   Fr= 1--      55.527               -160.847                261.990
 CID3   Fr= 1--       7.979                 -6.501                  3.142
 RC180  Fr= 1--      -0.963                 -0.920                 -0.809
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     56.0060                61.7663                54.6168
  Dep-P Fr= 1--      0.7474                 0.7420                 0.7471
  Dep-U Fr= 1--      0.8554                 0.8519                 0.8552
 Alpha2 Fr= 1--      0.0025                 0.0084                 0.0027
 Beta2  Fr= 1--      7.9850                 8.7699                 7.7849
 AlphaG Fr= 1--      0.0051                 0.0072                -0.0009
 Gamma2 Fr= 1--     -0.7465                -6.5706                -6.8218
 Delta2 Fr= 1--     -0.7179                -1.0332                -6.6809
 Raman1 Fr= 1--     224.024                247.065                218.467
 ROA1   Fr= 1--     -94.632               -663.842               -868.682
 CID1   Fr= 1--      -0.422                 -2.687                 -3.976
 Raman2 Fr= 1--      95.820                105.238                 93.419
 ROA2   Fr= 1--     -12.172               -149.429               -110.277
 CID2   Fr= 1--      -0.127                 -1.420                 -1.180
 Raman3 Fr= 1--     191.639                210.477                186.838
 ROA3   Fr= 1--     -94.632               -663.842               -868.682
 CID3   Fr= 1--      -0.494                 -3.154                 -4.649
 RC180  Fr= 1--       0.711                  0.704                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     84.6116                64.3251                54.5929
  Dep-P Fr= 1--      0.4462                 0.7103                 0.1324
  Dep-U Fr= 1--      0.6171                 0.8306                 0.2338
 Alpha2 Fr= 1--      0.5266                 0.0443                 0.8823
 Beta2  Fr= 1--      8.7022                 8.9047                 2.1271
 AlphaG Fr= 1--     -0.1426                 0.0747                 0.3636
 Gamma2 Fr= 1--      4.1944                 8.7003                 2.6288
 Delta2 Fr= 1--      7.3970                 2.8202                 0.3318
 Raman1 Fr= 1--     338.447                257.300                218.371
 ROA1   Fr= 1--     639.361                925.475                262.983
 CID1   Fr= 1--       1.889                  3.597                  1.204
 Raman2 Fr= 1--     104.427                106.856                 25.525
 ROA2   Fr= 1--      41.489                186.246                 60.437
 CID2   Fr= 1--       0.397                  1.743                  2.368
 Raman3 Fr= 1--     208.854                213.713                 51.050
 ROA3   Fr= 1--     639.361                925.475                262.983
 CID3   Fr= 1--       3.061                  4.330                  5.151
 RC180  Fr= 1--       0.234                  0.661                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
     X                XXXXXXXX  X                                     X      XXXXXXXXXXXXXXXX X XXXXXXX  X  X X  XXX  XXXXXXXXX  X   
     X                     X    X                                     X                 X     X  X                     X             
     X                                                                X                       X  X                     X             
                                                                      X                       X  X                     X             
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927763D+02 -0.431012D+01 -0.177648D+01
      2  -0.431012D+01  0.805899D+02  0.779615D+00
      3  -0.177648D+01  0.779615D+00  0.737104D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.971043D+00 -0.119968D+01 -0.683619D+00
      2   0.343078D+01  0.844406D+00  0.360203D+02
      3  -0.135267D+02 -0.200173D+02 -0.135344D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.356790D+02  0.138038D+02  0.559822D+01
      2  -0.205657D+02 -0.715078D+01 -0.607404D+00
      3  -0.151133D+02 -0.665304D+01 -0.499082D+01
      4   0.186239D+01  0.529642D+02  0.404343D+00
      5   0.858046D+01  0.521792D+00  0.822368D+02
      6  -0.400609D+00  0.492054D+01 -0.432887D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.680918D+01 -0.270912D+01 -0.339901D+00 -0.155706D+01 -0.128817D+01
      2  -0.270912D+01 -0.934051D-02  0.179656D+00 -0.128817D+01  0.219884D+00
      3  -0.339901D+00  0.179656D+00 -0.236459D+00  0.170790D+00  0.142036D+00
                 6             7             8             9            10 
      1   0.170790D+00 -0.136350D+01  0.720416D-01  0.210978D+00 -0.340885D+01
      2   0.142036D+00  0.720416D-01 -0.310816D+00 -0.332070D+00  0.270774D+01
      3  -0.693079D+00  0.210978D+00 -0.332070D+00 -0.833813D+00 -0.143470D+01
                11            12            13            14            15 
      1   0.270774D+01 -0.143470D+01  0.341086D+01  0.596000D+00 -0.580036D-01
      2  -0.582128D-01  0.193162D-01  0.596000D+00 -0.107510D+01 -0.457140D+00
      3   0.193162D-01 -0.946661D+00 -0.580036D-01 -0.457140D+00  0.243090D+01
                16            17            18            19            20 
      1  -0.112870D+01  0.698425D+00 -0.748465D+00  0.214797D+01 -0.208194D+01
      2   0.698425D+00 -0.108609D+01  0.703954D+00 -0.208194D+01  0.319618D+01
      3  -0.748465D+00  0.703954D+00  0.773288D+01  0.371888D+01  0.843945D-01
                21            22            23            24            25 
      1   0.371888D+01 -0.231040D+01  0.297350D+01 -0.233074D+00  0.420424D+01
      2   0.843945D-01  0.297350D+01  0.355301D+01  0.161688D+01 -0.100085D+00
      3  -0.737105D+00 -0.233074D+00  0.161688D+01 -0.201980D+01 -0.639633D+00
                26            27            28            29            30 
      1  -0.100085D+00 -0.639633D+00  0.186190D+01  0.432241D+00 -0.109568D+01
      2   0.119434D+01 -0.196669D+01  0.432241D+00 -0.333549D+01 -0.200679D+00
      3  -0.196669D+01 -0.683618D+01 -0.109568D+01 -0.200679D+00 -0.273526D+01
                31            32            33            34            35 
      1   0.842553D-01 -0.299360D+01  0.427128D+00 -0.108913D+01  0.252855D+00
      2  -0.299360D+01 -0.997730D+00 -0.145202D+01  0.252855D+00 -0.127770D+01
      3   0.427128D+00 -0.145202D+01  0.253659D+01 -0.187665D+01  0.407705D+01
                36            37            38            39            40 
      1  -0.187665D+01 -0.365896D+01 -0.229211D+01  0.303047D+00 -0.204005D+01
      2   0.407705D+01 -0.229211D+01 -0.428975D+00  0.331818D+00 -0.392486D+00
      3   0.405989D+01  0.303047D+00  0.331818D+00  0.892584D+00 -0.119517D+00
                41            42            43            44            45 
      1  -0.392486D+00 -0.119517D+00  0.636733D+00  0.258917D+00 -0.484180D+00
      2  -0.529443D+01  0.474558D+00  0.258917D+00  0.495115D+00 -0.148403D+01
      3   0.474558D+00 -0.834489D+00 -0.484180D+00 -0.148403D+01  0.582927D+00
                46            47            48            49            50 
      1  -0.167278D+02  0.269366D+01  0.891354D+00  0.172222D+01 -0.312975D+01
      2   0.269366D+01 -0.301080D+01 -0.201035D+00 -0.312975D+01  0.226748D+01
      3   0.891354D+00 -0.201035D+00 -0.165502D+01 -0.926868D-01  0.348608D+00
                51            52            53            54            55 
      1  -0.926868D-01  0.196402D+01 -0.244731D+00 -0.361781D+01  0.390550D+01
      2   0.348608D+00 -0.244731D+00  0.556024D+00  0.788187D+00 -0.257157D+00
      3   0.764492D+00 -0.361781D+01  0.788187D+00  0.120625D+01  0.473994D-01
                56            57            58            59            60 
      1  -0.257157D+00  0.473994D-01 -0.296371D+00 -0.174391D+00  0.264247D+00
      2   0.320896D+01  0.215448D+00 -0.174391D+00  0.634383D+01 -0.216555D+00
      3   0.215448D+00  0.108105D+01  0.264247D+00 -0.216555D+00 -0.736431D+00
                61            62            63            64            65 
      1  -0.664056D+00 -0.400847D-01  0.325034D+00  0.878528D+00 -0.387807D+00
      2  -0.400847D-01  0.140402D+00  0.111719D+01 -0.387807D+00 -0.700469D-01
      3   0.325034D+00  0.111719D+01 -0.352812D+00 -0.112342D+01  0.715929D-01
                66            67            68            69            70 
      1  -0.112342D+01 -0.537270D+00 -0.209082D+00  0.443512D-01 -0.172617D+01
      2   0.715929D-01 -0.209082D+00  0.464004D+00 -0.132566D+01  0.142638D-01
      3   0.358263D+00  0.443512D-01 -0.132566D+01 -0.234357D+00  0.390417D-01
                71            72            73            74            75 
      1   0.142638D-01  0.390417D-01  0.177079D+01 -0.171049D+01  0.115261D+01
      2  -0.165987D+01  0.457807D+00 -0.171049D+01  0.238324D+01 -0.727474D+00
      3   0.457807D+00 -0.971145D+01  0.115261D+01 -0.727474D+00  0.109524D+01
                76            77            78            79            80 
      1  -0.147757D+01  0.198012D+01 -0.548285D+00  0.160573D+01 -0.993781D+00
      2   0.198012D+01 -0.561574D+01  0.197212D+01 -0.993781D+00  0.339740D+01
      3  -0.548285D+00  0.197212D+01 -0.183083D+01  0.128323D+01 -0.257920D+01
                81            82            83            84            85 
      1   0.128323D+01  0.744457D+00 -0.852575D+00 -0.136199D+01 -0.542687D+00
      2  -0.257920D+01 -0.852575D+00  0.894113D+00  0.547725D+00  0.101541D+01
      3   0.203771D+01 -0.136199D+01  0.547725D+00  0.111361D+01  0.267559D+00
                86            87            88            89            90 
      1   0.101541D+01  0.267559D+00 -0.209945D+01  0.486224D+00  0.145238D+01
      2  -0.259238D+01 -0.183382D+01  0.486224D+00 -0.298494D+01 -0.368908D+01
      3  -0.183382D+01 -0.194009D+01  0.145238D+01 -0.368908D+01 -0.660778D+01
                91            92            93            94            95 
      1  -0.462750D+01  0.206309D+01  0.421113D+00  0.145866D+01 -0.123710D+01
      2   0.206309D+01 -0.376007D+01 -0.277346D+00 -0.123710D+01  0.146968D+01
      3   0.421113D+00 -0.277346D+00 -0.109579D+01 -0.179722D+00  0.118468D+00
                96            97            98            99           100 
      1  -0.179722D+00  0.884714D+00 -0.330162D+00 -0.571245D+00  0.948304D-02
      2   0.118468D+00 -0.330162D+00  0.714574D+00  0.654814D+00  0.274821D+01
      3   0.520150D+00 -0.571245D+00  0.654814D+00  0.388749D+00 -0.467210D+01
               101           102           103           104           105 
      1   0.274821D+01 -0.467210D+01  0.300538D+01 -0.267507D+01  0.432178D+00
      2  -0.205297D+01  0.371321D+00 -0.267507D+01 -0.453064D+01 -0.257189D+01
      3   0.371321D+00  0.140668D+01  0.432178D+00 -0.257189D+01  0.203716D+01
               106           107           108           109           110 
      1  -0.407966D+01  0.231669D+00  0.129712D+01 -0.124650D+01  0.264035D+01
      2   0.231669D+00 -0.124216D+01  0.182529D+01  0.264035D+01 -0.309230D+01
      3   0.129712D+01  0.182529D+01  0.401522D+01 -0.334961D+01  0.292971D+00
               111           112           113           114           115 
      1  -0.334961D+01  0.286587D+01 -0.382719D+01  0.282451D+00 -0.372657D+01
      2   0.292971D+00 -0.382719D+01 -0.450797D+01 -0.959771D+00  0.288393D+00
      3   0.157196D+01  0.282451D+00 -0.959771D+00  0.177862D+01  0.655973D+00
               116           117           118           119           120 
      1   0.288393D+00  0.655973D+00 -0.400994D+01 -0.872402D+00  0.249437D+01
      2  -0.113384D+01  0.158778D+01 -0.872402D+00 -0.858499D+00  0.268867D+00
      3   0.158778D+01  0.685056D+01  0.249437D+01  0.268867D+00 -0.370445D+01
               121           122           123           124           125 
      1  -0.101338D+01 -0.573945D+00  0.370940D+00  0.211287D+01  0.231021D+00
      2  -0.573945D+00 -0.886266D-01  0.103096D+01  0.231021D+00  0.791134D+00
      3   0.370940D+00  0.103096D+01 -0.117371D+01 -0.213393D+01 -0.628413D+00
               126           127           128           129           130 
      1  -0.213393D+01  0.836237D+00  0.943770D+00  0.945607D+00  0.150103D+01
      2  -0.628413D+00  0.943770D+00  0.120220D+01  0.410857D+00  0.170254D+01
      3   0.367821D+01  0.945607D+00  0.410857D+00  0.277328D+00  0.783884D+00
               131           132           133           134           135 
      1   0.170254D+01  0.783884D+00  0.621372D+00  0.334325D+00  0.232723D+00
      2   0.675177D+01  0.235121D+01  0.334325D+00  0.128576D+01  0.118003D+01
      3   0.235121D+01  0.246196D+01  0.232723D+00  0.118003D+01  0.818155D+00
               136           137           138           139           140 
      1   0.500920D+01 -0.183526D+01  0.302169D+01 -0.253119D+01  0.188619D+01
      2  -0.183526D+01  0.177396D+01 -0.908470D+00  0.188619D+01 -0.154734D+01
      3   0.302169D+01 -0.908470D+00  0.259058D+01 -0.131622D+01  0.149473D+01
               141           142           143           144           145 
      1  -0.131622D+01  0.204688D+01 -0.680985D+00  0.173937D+01 -0.138227D+00
      2   0.149473D+01 -0.680985D+00  0.865551D+00 -0.111009D+01 -0.406256D+00
      3  -0.212677D+01  0.173937D+01 -0.111009D+01  0.225037D+01 -0.693713D+00
               146           147           148           149           150 
      1  -0.406256D+00 -0.693713D+00 -0.730220D+00  0.522362D+00  0.140288D+00
      2   0.774205D-01 -0.540351D-01  0.522362D+00 -0.109188D-02 -0.105479D+01
      3  -0.540351D-01 -0.506802D+00  0.140288D+00 -0.105479D+01 -0.114120D+01
               151           152           153           154           155 
      1  -0.163645D+01 -0.564258D-01  0.132653D+01  0.768869D+01 -0.242131D+01
      2  -0.564258D-01 -0.113540D+01 -0.655857D+00 -0.242131D+01  0.204510D+01
      3   0.132653D+01 -0.655857D+00 -0.909824D+01  0.864332D+00 -0.326333D+00
               156           157           158           159           160 
      1   0.864332D+00 -0.398396D+01  0.258788D+01 -0.213470D+00  0.254420D+01
      2  -0.326333D+00  0.258788D+01 -0.178286D+01  0.461191D+00 -0.554200D+00
      3   0.101097D+01 -0.213470D+00  0.461191D+00 -0.106801D+01  0.106302D+01
               161           162           163           164           165 
      1  -0.554200D+00  0.106302D+01  0.215584D+01  0.159738D+01  0.210709D+00
      2   0.837868D+00 -0.740398D+00  0.159738D+01  0.189553D+01 -0.985934D-01
      3  -0.740398D+00  0.291554D+00  0.210709D+00 -0.985934D-01  0.219275D+00
               166           167           168           169           170 
      1   0.297188D+01  0.323678D+01 -0.422834D+00  0.892932D+00  0.132319D+00
      2   0.323678D+01  0.696424D+01 -0.139131D+00  0.132319D+00  0.552650D+00
      3  -0.422834D+00 -0.139131D+00  0.126889D+01  0.446537D+00  0.793723D+00
               171 
      1   0.446537D+00
      2   0.793723D+00
      3  -0.472195D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.752871D+00  0.377518D+01 -0.825060D+00  0.283750D+01  0.176323D+01
      2  -0.196047D+01 -0.322758D+01 -0.968074D+01 -0.214096D+01 -0.869258D+00
      3  -0.219228D+01  0.684608D+01  0.117550D+01  0.184981D+00 -0.378464D+01
                 6             7             8             9            10 
      1   0.437151D+01  0.148813D+01  0.123730D+02 -0.200180D+01  0.234240D+00
      2   0.273811D+01 -0.132529D+02 -0.330211D+01  0.375770D+01 -0.345902D+01
      3  -0.152423D+01  0.259173D+01 -0.514479D+01  0.216467D+00  0.139282D+01
                11            12            13            14            15 
      1  -0.998811D+00 -0.241891D+01 -0.205062D+01  0.106792D+01 -0.137821D+01
      2   0.241536D+01  0.123672D+01  0.420631D+01  0.479290D+00  0.334310D+01
      3  -0.207956D+01 -0.780509D+00  0.727690D+01 -0.721031D+00  0.112208D+01
                16            17            18            19            20 
      1  -0.107818D+01  0.245381D+01 -0.186055D+01 -0.682367D+00 -0.169375D+00
      2  -0.311339D+01  0.911272D+00 -0.492540D+01  0.840767D+01 -0.237971D+00
      3  -0.890058D+00  0.221363D+01 -0.180288D+01  0.293141D+01 -0.897104D+01
                21            22            23            24            25 
      1   0.710714D+00 -0.135373D+00  0.649252D+00 -0.610595D+01  0.402348D+00
      2   0.411820D+01 -0.971105D+00  0.196984D+01 -0.263037D+01 -0.523967D+01
      3   0.161631D+00 -0.415562D+00 -0.649499D+01 -0.286885D+01  0.835834D+00
                26            27            28            29            30 
      1   0.245399D+01 -0.969937D+00  0.103489D+00  0.185546D+01 -0.494732D+01
      2  -0.260388D+01 -0.484376D+01 -0.171973D+01  0.608129D+00 -0.256731D+01
      3  -0.248485D+01  0.199983D+01 -0.925810D+01  0.125234D+01  0.637025D+00
                31            32            33            34            35 
      1   0.296141D+01 -0.375897D+01  0.572843D+01 -0.323646D+01  0.129977D+02
      2  -0.179111D+00 -0.258014D+01  0.192412D+01 -0.637483D+01  0.497846D+01
      3   0.406557D+01  0.672039D+01  0.178527D+01  0.262314D+00  0.133943D+01
                36            37            38            39            40 
      1   0.669482D+01 -0.497455D+00 -0.151301D+01 -0.111400D+00  0.129839D+01
      2   0.296030D+01 -0.315432D+00  0.124981D+01  0.643158D+01  0.423890D+00
      3   0.153898D+01  0.918562D+01 -0.234491D+01 -0.951273D+00  0.117756D+02
                41            42            43            44            45 
      1   0.150172D+01 -0.649171D+01 -0.460713D+01 -0.190136D+01  0.185115D+01
      2  -0.254186D+00 -0.870227D+00 -0.305774D+01  0.367406D+01 -0.159748D+01
      3  -0.469620D+01 -0.225458D+00 -0.298354D+01  0.411306D+00 -0.327023D+00
                46            47            48            49            50 
      1   0.126372D+01 -0.102175D+01  0.150311D+01 -0.104941D+01 -0.333140D+00
      2  -0.296856D+01  0.382932D+00  0.139637D+02  0.994172D+00 -0.639890D+00
      3   0.868451D+01 -0.186605D+02 -0.652625D+00 -0.273313D+01  0.858507D+01
                51            52            53            54            55 
      1  -0.356999D+01 -0.207503D+01  0.480932D+00  0.703712D+00  0.146061D+01
      2  -0.200459D+01  0.469904D+01  0.837606D+00 -0.435835D+01 -0.317512D+00
      3   0.852792D+00 -0.426297D+00  0.408849D+01  0.269324D+01  0.127724D+02
                56            57            58            59            60 
      1  -0.137716D+01 -0.167865D+01  0.130803D+00 -0.359737D+01 -0.614028D+01
      2   0.818364D+00  0.138968D+01 -0.608313D+00 -0.764727D+00 -0.103413D+01
      3  -0.138002D+01 -0.111895D+01  0.560229D+01  0.393218D+01  0.217423D+00
                61            62            63            64            65 
      1  -0.781533D+00  0.159755D+01 -0.210225D+01  0.272084D+00 -0.140279D+00
      2  -0.359517D+01  0.398456D+00 -0.213788D+00  0.224767D+01 -0.271588D+00
      3  -0.141500D+01  0.232044D+00  0.173590D+01  0.602603D+00 -0.102832D+01
                66            67            68            69            70 
      1   0.277815D+00 -0.392567D+00  0.568549D+00  0.760022D+00 -0.505283D+00
      2  -0.333042D+00 -0.974765D+00  0.467309D+00 -0.159329D-01 -0.451959D+01
      3  -0.585387D+00  0.271040D+00  0.147465D+00 -0.409199D+00 -0.822345D+00
                71            72            73            74            75 
      1   0.392952D+01  0.489602D+01  0.275510D+01 -0.166265D+01  0.297463D+01
      2   0.302319D+00  0.355047D+01  0.804568D+00 -0.790676D+00  0.207416D+01
      3  -0.712184D+00  0.596513D+00 -0.275937D+01 -0.124397D-01 -0.180355D+01
                76            77            78            79            80 
      1  -0.186530D+01  0.457678D+01 -0.561905D+01  0.307997D+01 -0.401585D+01
      2   0.234068D+00  0.186454D+01 -0.205997D+01 -0.709156D-01 -0.228090D+01
      3   0.425935D+01 -0.661231D+00 -0.187133D+00 -0.385586D+01 -0.101255D+01
                81            82            83            84            85 
      1   0.580773D+01 -0.256617D+01  0.180155D+00  0.215063D+01 -0.154264D+00
      2   0.219649D+01  0.107238D+00 -0.182251D+00  0.660952D+00 -0.613870D+00
      3  -0.104754D+01 -0.143482D+01 -0.305054D+00  0.247905D+01  0.147785D+01
                86            87            88            89            90 
      1  -0.180638D+01 -0.436488D+01  0.320854D+01 -0.296594D+01 -0.120772D+02
      2  -0.799848D+00 -0.149508D+01 -0.234605D+01 -0.250603D+01 -0.451548D+01
      3  -0.109921D+01  0.425794D+00  0.525455D+01  0.107784D+01 -0.140330D+01
                91            92            93            94            95 
      1  -0.218097D+01  0.151028D+01  0.265092D+01  0.326573D+00 -0.760238D+00
      2  -0.325812D+00  0.121885D+00  0.176850D+01  0.113759D+00  0.105145D+00
      3  -0.130014D+02 -0.518801D+00  0.140555D+01  0.146139D+01 -0.270228D+01
                96            97            98            99           100 
      1  -0.129044D+01  0.855487D+00 -0.544381D+00 -0.107828D+01  0.630987D+01
      2  -0.695977D+00 -0.388168D+00 -0.769048D+00 -0.346632D+00 -0.624475D+01
      3  -0.110588D+00  0.215637D+01 -0.375078D+00 -0.480297D+00 -0.342410D+01
               101           102           103           104           105 
      1  -0.422655D+01 -0.210724D+00 -0.550166D+01 -0.921510D+01 -0.921483D+01
      2  -0.453200D+01  0.150854D+02 -0.480913D+01  0.130439D+01  0.193847D+01
      3   0.181673D+01 -0.227105D+01  0.701492D+01  0.556745D+01  0.343394D+01
               106           107           108           109           110 
      1   0.518524D+00 -0.233025D+01  0.328838D+01 -0.137927D+01  0.322657D+01
      2   0.740654D+01  0.176438D+01  0.160605D+01 -0.115105D+02  0.289518D+01
      3  -0.156929D+01  0.224043D+01 -0.205564D+01 -0.767576D+01  0.728755D+01
               111           112           113           114           115 
      1  -0.687717D+00  0.430578D+01  0.481972D+01 -0.173504D+01  0.289546D+00
      2   0.188762D+01  0.331638D+01 -0.594993D+01  0.479170D+01 -0.516934D+01
      3  -0.146715D+01  0.162752D+02  0.117322D+02  0.166982D+01 -0.200816D+01
               116           117           118           119           120 
      1   0.223393D+01 -0.367615D+01 -0.238225D+01 -0.292643D+01  0.941282D+00
      2   0.392888D+01  0.194158D+02  0.133313D+02  0.248637D+01 -0.660666D+01
      3   0.303816D+01 -0.416684D+01 -0.116703D+00 -0.920036D+00  0.347537D+00
               121           122           123           124           125 
      1  -0.143846D+01 -0.591925D+00  0.936606D+00  0.111971D+01  0.305243D+01
      2   0.301960D+01  0.234805D+01 -0.168130D+01 -0.844385D+01 -0.123496D+01
      3   0.129864D+01 -0.175096D+00 -0.103049D+01  0.266645D-02 -0.488411D-01
               126           127           128           129           130 
      1  -0.178368D+01  0.127867D+01  0.205026D+01  0.281386D+00  0.247755D+01
      2   0.728457D+01  0.282301D+00 -0.902661D+00 -0.125287D+00 -0.224816D+01
      3   0.706877D-01 -0.648599D+00 -0.196012D+01 -0.286245D+00  0.861427D+00
               131           132           133           134           135 
      1   0.132189D+02  0.396751D+00  0.844340D+00  0.293100D+01  0.164925D+01
      2   0.590183D+00  0.266022D+01 -0.162950D+01  0.856521D+00  0.773653D+00
      3  -0.948518D+01 -0.272046D+01 -0.311547D-02 -0.158470D+01 -0.177052D+01
               136           137           138           139           140 
      1  -0.418890D+01  0.463456D+01 -0.127852D+01  0.356601D+01 -0.380637D+01
      2  -0.543532D+01  0.236391D+01  0.697902D+00  0.357475D+01 -0.137020D+01
      3   0.250478D+01 -0.460200D+01  0.163191D+01 -0.160835D+01  0.325765D+01
               141           142           143           144           145 
      1   0.142464D+01 -0.176659D+01  0.310830D+01 -0.209397D+01  0.598061D+00
      2  -0.140402D+01 -0.316703D+01 -0.773485D-01  0.569777D+00 -0.258023D+01
      3  -0.205069D+01  0.914421D+00 -0.186295D+01  0.185346D+01  0.100306D+01
               146           147           148           149           150 
      1   0.164081D+00  0.615882D-01 -0.308553D+00  0.588109D+00  0.284563D+00
      2  -0.517092D+00 -0.664764D+00 -0.946599D+00 -0.188391D+01 -0.280366D+01
      3  -0.100526D+01 -0.551375D-01 -0.428558D+00  0.181743D+00  0.238759D+01
               151           152           153           154           155 
      1  -0.438583D-01  0.424007D+01  0.279699D+01  0.195360D+01 -0.149338D+01
      2  -0.221846D+01 -0.205203D+01 -0.219805D+02  0.852466D+01 -0.330429D+01
      3   0.146821D+00  0.307690D+01  0.199861D+01  0.707154D+01 -0.812428D+01
               156           157           158           159           160 
      1   0.106092D+01 -0.177914D+01  0.107816D+01 -0.172641D+01  0.267431D+00
      2   0.585869D+01 -0.364648D+01  0.349982D+01 -0.442104D+01  0.335712D+01
      3   0.125525D+01 -0.566070D+01  0.621372D+01 -0.155125D+01  0.149307D+01
               161           162           163           164           165 
      1   0.233640D+00  0.921689D+00 -0.159918D+01 -0.186716D+01 -0.454695D+00
      2  -0.246239D+01  0.223424D+01  0.223819D+01  0.101719D+01  0.166347D+01
      3  -0.297285D+01  0.213300D+01 -0.348870D+01 -0.558590D+01  0.482613D+00
               166           167           168           169           170 
      1  -0.233492D+01 -0.635584D+01 -0.312456D+01 -0.128863D+00 -0.325566D-01
      2   0.125557D+01  0.248351D+01  0.372059D+01  0.730572D+00  0.178802D+01
      3  -0.458557D+01 -0.186693D+02 -0.105533D+00  0.315872D+00 -0.151946D+01
               171 
      1  -0.570089D+00
      2  -0.678566D+00
      3  -0.178264D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.488960D+02  0.282634D+01  0.548275D+00  0.126530D+02  0.829004D+01
      2   0.278050D+02  0.168203D+01 -0.388539D+01 -0.862610D+01 -0.107082D+02
      3   0.210910D+02 -0.450837D+01  0.333711D+01 -0.402686D+01  0.241812D+01
      4   0.102617D+02 -0.112266D+02 -0.238752D+00 -0.694287D+00  0.712383D+01
      5   0.238595D+01  0.278601D+00 -0.140497D+02 -0.102465D+01  0.617628D+00
      6  -0.431156D-01 -0.464164D+00  0.372151D+01  0.173821D-01  0.714599D-01
                 6             7             8             9            10 
      1  -0.232356D+01  0.907058D+01 -0.227011D+01 -0.644361D+01 -0.297278D+01
      2   0.560127D+00 -0.645408D+01  0.136295D+00 -0.365399D+01  0.593282D+01
      3   0.176343D+01 -0.261651D+01  0.213382D+01  0.100976D+02 -0.296005D+01
      4   0.718680D+00 -0.891100D+00  0.278256D+01  0.124664D+01 -0.265785D+01
      5   0.860282D+01  0.407246D+01  0.248020D-01  0.620824D+01 -0.152232D+01
      6  -0.511529D+01  0.598911D+00  0.211192D+01  0.110849D+01 -0.526311D+00
                11            12            13            14            15 
      1  -0.207432D+01 -0.756407D+00  0.672145D+01 -0.603164D+00  0.262076D+01
      2   0.324465D+01 -0.133840D+00 -0.314972D+01 -0.519263D+01  0.519459D+01
      3  -0.117033D+01  0.890247D+00 -0.357173D+01  0.579579D+01 -0.781535D+01
      4  -0.893633D+00  0.763932D-01 -0.431165D+01  0.202054D+01 -0.107714D+01
      5  -0.165063D+01  0.359832D+00 -0.204605D+01  0.639675D-01  0.390396D+01
      6  -0.156077D+01  0.217693D+01 -0.920783D+00  0.242405D+00 -0.151240D+01
                16            17            18            19            20 
      1  -0.691928D+01  0.568066D+00  0.149067D+02 -0.294507D+01 -0.305110D+01
      2   0.267636D+01 -0.318788D+01  0.155015D+02 -0.365257D+01 -0.181868D+01
      3   0.424292D+01  0.261982D+01 -0.304082D+02  0.659764D+01  0.486978D+01
      4  -0.125129D+01 -0.529325D+00 -0.293184D+01 -0.441572D+01  0.542179D+01
      5   0.321709D+00 -0.106149D+01 -0.209568D+01  0.145667D+02  0.134519D+01
      6  -0.282981D+01  0.774643D+00  0.789890D+01  0.499536D+00  0.244744D+01
                21            22            23            24            25 
      1   0.107194D+02 -0.826443D+01  0.111323D+02  0.150872D+01  0.152388D+02
      2  -0.484233D+01  0.463029D+01 -0.101938D+02 -0.239339D+00 -0.635951D+01
      3  -0.587703D+01  0.363414D+01 -0.938484D+00 -0.126939D+01 -0.887926D+01
      4   0.233106D+00  0.924248D+01  0.785379D+01  0.208362D+01  0.385403D+00
      5  -0.280151D+01  0.793938D+00  0.186589D+01 -0.514547D+01 -0.330841D+01
      6  -0.270781D+01  0.145915D+01 -0.282717D+01  0.390522D+01 -0.282638D+01
                26            27            28            29            30 
      1   0.504024D+00 -0.548633D+01 -0.122344D+01 -0.920139D+01 -0.338326D+01
      2   0.476982D+00  0.533208D+01  0.108923D+01  0.142828D+02 -0.109983D+01
      3  -0.981007D+00  0.154248D+00  0.134210D+00 -0.508143D+01  0.448309D+01
      4   0.198097D+01 -0.576412D+01 -0.283606D+01 -0.140109D+02  0.219635D+01
      5  -0.518857D+01 -0.134806D+02 -0.397145D+01  0.918874D+00 -0.702527D+01
      6   0.308869D+01 -0.155867D+01  0.816208D+00 -0.826943D+00  0.112443D+02
                31            32            33            34            35 
      1  -0.588925D+01 -0.165524D+01  0.265049D+00 -0.287705D+01  0.140383D+01
      2   0.922003D+01  0.177782D+01  0.708795D+01 -0.224198D+01  0.802479D+01
      3  -0.333078D+01 -0.122582D+00 -0.735300D+01  0.511903D+01 -0.942862D+01
      4  -0.792411D+01  0.559387D+01 -0.318934D+01  0.265731D+01 -0.306441D+01
      5   0.482089D+00 -0.186888D+01  0.381329D+01 -0.462545D+01  0.876661D+01
      6  -0.294379D+01  0.846313D+01 -0.135512D+02  0.994446D+01 -0.190355D+02
                36            37            38            39            40 
      1   0.130834D+02  0.641775D+01  0.395438D+01  0.126090D+01 -0.264139D+01
      2  -0.107304D+02  0.816586D+00 -0.155245D+01  0.892104D+00  0.364292D+01
      3  -0.235303D+01 -0.723433D+01 -0.240192D+01 -0.215301D+01 -0.100153D+01
      4   0.119956D+02  0.107864D+02  0.183225D+02 -0.928005D+00  0.115129D+02
      5   0.759338D+01  0.135304D+01  0.521036D+00  0.929059D+01  0.559473D+00
      6  -0.141215D+02  0.462916D+00 -0.122658D+01 -0.199307D+01  0.369600D+00
                41            42            43            44            45 
      1  -0.156122D+02  0.136978D+01 -0.329681D+00  0.350004D+00 -0.482282D+01
      2   0.256933D+02 -0.867124D+00  0.254698D+00 -0.144449D+00  0.319178D+01
      3  -0.100811D+02 -0.502655D+00  0.749836D-01 -0.205555D+00  0.163104D+01
      4   0.884649D+01 -0.879709D+00 -0.115096D+01 -0.125708D+01  0.540022D+01
      5   0.901696D+00 -0.246084D+01  0.337861D+01  0.385697D+01 -0.161484D+01
      6  -0.608728D+00  0.105307D+02  0.165843D+01  0.921082D+01 -0.177953D+01
                46            47            48            49            50 
      1   0.982090D+02 -0.107481D+02 -0.340187D+01 -0.102442D+02  0.898020D+01
      2  -0.559710D+02  0.611874D+01  0.324898D+01  0.602399D+01 -0.826843D+00
      3  -0.422380D+02  0.462932D+01  0.152886D+00  0.422026D+01 -0.815335D+01
      4  -0.839022D+01  0.216127D+02  0.681593D+00  0.216792D+02 -0.826589D+01
      5  -0.229807D+01  0.411733D+00  0.233405D+02  0.969387D+00 -0.133433D+01
      6   0.246777D+00  0.674592D+00 -0.227644D+01 -0.800181D+00 -0.281554D+00
                51            52            53            54            55 
      1   0.707921D+00 -0.850291D+01  0.159312D+01  0.130413D+02 -0.104973D+01
      2  -0.288150D+00  0.611780D+01 -0.343400D+00 -0.116732D+02 -0.612501D+00
      3  -0.419770D+00  0.238510D+01 -0.124972D+01 -0.136808D+01  0.166223D+01
      4  -0.235598D+01  0.143779D+01 -0.308345D+01 -0.136536D+01  0.146905D+02
      5  -0.501200D+01  0.242012D+02 -0.370592D+01 -0.744873D+01  0.356778D+00
      6   0.516384D+01 -0.329516D+00  0.432172D+01  0.193549D-01 -0.165129D+01
                56            57            58            59            60 
      1  -0.339775D+01  0.647357D+00 -0.248917D+01 -0.236829D+02 -0.212791D+01
      2   0.713047D+01  0.101669D+01  0.151274D+01  0.382511D+02 -0.378560D+01
      3  -0.373272D+01 -0.166405D+01  0.976436D+00 -0.145682D+02  0.591351D+01
      4  -0.255060D+01 -0.159912D+01  0.502280D+01 -0.452245D+01  0.111630D+01
      5  -0.849362D+00  0.291304D+01  0.611720D+00  0.661956D-01 -0.225742D+01
      6   0.472064D+00  0.148123D+01  0.121594D+01 -0.211043D+01  0.945042D+01
                61            62            63            64            65 
      1   0.213258D+00 -0.611002D+00 -0.686788D+01 -0.406677D+00  0.929589D+00
      2   0.316100D+00  0.289162D+01  0.121912D+01 -0.425859D+01 -0.371188D+00
      3  -0.529358D+00 -0.228062D+01  0.564877D+01  0.466526D+01 -0.558401D+00
      4  -0.125304D+01  0.805592D+00  0.265106D+00  0.115580D+01  0.191561D+01
      5   0.278237D+01 -0.124300D+01  0.101729D+00  0.404553D+00 -0.362512D+00
      6   0.798564D+00  0.905331D+01  0.219493D+00 -0.150722D+01  0.174981D+00
                66            67            68            69            70 
      1   0.468590D+00 -0.899741D-01 -0.379757D+01  0.804649D+00  0.152402D+01
      2  -0.229298D-01  0.546116D+00  0.198029D+00 -0.316002D+01  0.124780D+00
      3  -0.445660D+00 -0.456142D+00  0.359954D+01  0.235537D+01 -0.164880D+01
      4  -0.158085D+01  0.170776D+01  0.109106D-01  0.667295D+00 -0.153776D+01
      5   0.684977D+01  0.317956D+00  0.392023D+00 -0.344822D-02  0.581099D+01
      6  -0.861300D-01  0.167533D+00 -0.193210D+01  0.655150D+01  0.611878D+00
                71            72            73            74            75 
      1   0.326481D+01 -0.217464D+02  0.863477D+00  0.280138D+01 -0.317813D+00
      2  -0.255935D+01 -0.204285D+02  0.436450D+01 -0.913115D+01  0.184499D+01
      3  -0.705459D+00  0.421749D+02 -0.522798D+01  0.632977D+01 -0.152717D+01
      4   0.153029D+01  0.160487D+01 -0.962082D+01  0.131144D+02 -0.564933D+01
      5   0.217251D+00  0.458353D+01  0.340845D+01 -0.305585D+01  0.394915D+01
      6   0.629622D+01 -0.120466D+02 -0.570236D+01  0.436806D+01 -0.498666D+01
                76            77            78            79            80 
      1   0.382383D+01 -0.151600D+02  0.521256D+01 -0.420163D+00  0.873233D+01
      2  -0.829019D+01  0.283784D+02 -0.946281D+01  0.248565D+01 -0.148486D+02
      3   0.446637D+01 -0.132184D+02  0.425024D+01 -0.206549D+01  0.611626D+01
      4   0.984126D+01 -0.144878D+02  0.507928D+01 -0.753074D+01  0.846648D+01
      5  -0.224740D+01  0.376044D+01 -0.350430D+01  0.444023D+01 -0.517758D+01
      6   0.342345D+01 -0.126214D+02  0.105571D+02 -0.609767D+01  0.147241D+02
                81            82            83            84            85 
      1  -0.810299D+01 -0.816937D+00  0.125255D+01  0.104601D+00  0.243381D+01
      2   0.763255D+01  0.202290D+00 -0.264848D+01  0.306604D+00 -0.363448D+01
      3   0.470444D+00  0.614647D+00  0.139592D+01 -0.411204D+00  0.120067D+01
      4  -0.725737D+01 -0.362783D+01  0.682713D+01  0.525273D+01  0.491082D+01
      5   0.437648D+01 -0.327451D+01  0.302262D+01  0.661104D+01  0.161558D+01
      6  -0.108322D+02  0.583610D+01 -0.244929D+01 -0.459097D+01 -0.199086D+01
                86            87            88            89            90 
      1  -0.962416D+01 -0.705026D+01  0.134917D+01 -0.115485D+02 -0.173514D+02
      2   0.112294D+02  0.634033D+01  0.108575D+01  0.864425D+01  0.334711D+01
      3  -0.160523D+01  0.709929D+00 -0.243492D+01  0.290428D+01  0.140042D+02
      4  -0.579950D+01 -0.269507D+01  0.627350D+01 -0.542415D+01 -0.759989D+01
      5  -0.302982D+01 -0.295880D+01  0.737139D+01 -0.615363D+01 -0.103674D+02
      6   0.107877D+02  0.129431D+02 -0.650929D+01  0.196217D+02  0.275841D+02
                91            92            93            94            95 
      1   0.641834D+01  0.260763D+01 -0.744476D+00 -0.727256D+00 -0.544233D+00
      2   0.279947D+01 -0.102413D+02 -0.896211D+00 -0.320968D+01  0.543916D+01
      3  -0.921781D+01  0.763364D+01  0.164069D+01  0.393694D+01 -0.489493D+01
      4  -0.205228D+02  0.153311D+02  0.231879D+01  0.774320D+01 -0.649650D+01
      5  -0.605742D+00  0.513505D+00  0.214585D+01  0.156347D+00 -0.429405D+00
      6   0.197427D+01 -0.512538D+00 -0.377943D+01 -0.656738D+00  0.415395D+00
                96            97            98            99           100 
      1   0.105070D+00 -0.144564D+00 -0.908827D+00 -0.717842D+00  0.484361D+01
      2   0.237879D+00 -0.827782D+00  0.171853D+01  0.289139D+00  0.926098D+01
      3  -0.342950D+00  0.972347D+00 -0.809703D+00  0.428703D+00 -0.141046D+02
      4  -0.803336D+00  0.297524D+01 -0.202975D+01 -0.297967D+01  0.868983D+01
      5  -0.847282D+00  0.310302D+01 -0.205531D+01 -0.742236D+00 -0.110037D+02
      6   0.204777D+01 -0.268284D+01  0.344036D+01  0.158957D+01  0.977571D+01
               101           102           103           104           105 
      1   0.917995D+01 -0.155126D+02  0.115273D+02 -0.126507D+01  0.150270D+01
      2  -0.635784D+01  0.338714D+01 -0.935577D+01 -0.633868D+00 -0.784984D+01
      3  -0.282211D+01  0.121254D+02 -0.217157D+01  0.189894D+01  0.634713D+01
      4  -0.580898D+01  0.315739D+01 -0.864962D+01 -0.118308D+02 -0.805634D+01
      5   0.997772D+01 -0.126571D+02  0.107358D+02 -0.129884D+02  0.606844D+01
      6  -0.755296D+01  0.185817D+01 -0.100415D+02 -0.134523D+02 -0.741988D+01
               106           107           108           109           110 
      1  -0.139415D+02 -0.867802D-01 -0.383775D+01 -0.122077D+02  0.172495D+02
      2   0.236759D+01 -0.670536D+01 -0.644133D+01  0.784893D+00 -0.982230D+01
      3   0.115739D+02  0.679214D+01  0.102791D+02  0.114228D+02 -0.742723D+01
      4   0.196192D+01 -0.458819D+01  0.552377D+01  0.167128D+02 -0.170547D+02
      5  -0.116694D+02  0.529162D+01  0.134421D+02 -0.178395D+02 -0.771808D+00
      6   0.210303D+01 -0.586165D+01  0.740243D+01 -0.416385D+01  0.343894D+01
               111           112           113           114           115 
      1  -0.162222D+02  0.215153D+02 -0.161182D+02  0.468459D+01 -0.209516D+02
      2   0.951784D+01 -0.148510D+02  0.380614D-01  0.188244D+00  0.904928D+01
      3   0.670432D+01 -0.666432D+01  0.160801D+02 -0.487283D+01  0.119023D+02
      4   0.143611D+01 -0.237700D+02 -0.231765D+02 -0.405376D+01  0.261886D+01
      5   0.836997D+01 -0.260900D+00 -0.233143D+01  0.682991D+01  0.670630D+01
      6   0.184638D+00  0.482129D+01  0.527482D+01  0.157556D+01  0.898732D+00
               116           117           118           119           120 
      1   0.523621D+01  0.156697D+02 -0.797520D+01 -0.245478D+01  0.133472D+02
      2  -0.914352D+00  0.711566D+01 -0.302985D+01  0.524180D+00  0.537807D+01
      3  -0.432186D+01 -0.227854D+02  0.110051D+02  0.193060D+01 -0.187253D+02
      4  -0.641095D+01  0.809432D+01 -0.147364D+01  0.119702D+01  0.302269D+00
      5   0.682716D+01  0.245585D+02 -0.111517D+02 -0.277013D+01  0.691417D+01
      6   0.167846D+01 -0.231314D+01 -0.309599D+01 -0.406981D+01  0.155628D+01
               121           122           123           124           125 
      1  -0.326199D+01 -0.355438D+01  0.318178D+01  0.948739D+01  0.204260D+01
      2   0.120289D+01  0.772369D+00  0.188482D+01  0.317638D+01  0.135265D+01
      3   0.205910D+01  0.278201D+01 -0.506659D+01 -0.126638D+02 -0.339525D+01
      4   0.216847D+01  0.115125D+01  0.100509D+01  0.589044D+00  0.604743D+00
      5  -0.316168D+01 -0.332516D+00 -0.465291D+00  0.834264D+01  0.338753D+00
      6  -0.250720D+01 -0.114174D+01  0.600686D+01  0.132706D+01  0.509586D+01
               126           127           128           129           130 
      1  -0.145984D+02  0.142318D+01  0.141600D+01  0.196231D+01  0.210505D+01
      2  -0.771104D+01 -0.942658D+00  0.473735D+00 -0.100283D+01  0.175354D+00
      3   0.223095D+02 -0.480521D+00 -0.188974D+01 -0.959472D+00 -0.228040D+01
      4  -0.988616D+00  0.430926D+01  0.772649D+01  0.204098D+01  0.952757D+01
      5  -0.535438D+01  0.469242D+01  0.356878D+01  0.532472D+01  0.616926D+01
      6  -0.263014D+01  0.280836D+01  0.469958D+01  0.203024D+01  0.658852D+01
               131           132           133           134           135 
      1  -0.877884D+01 -0.638696D+01  0.853531D+00 -0.414952D+01 -0.418888D+01
      2   0.133520D+02 -0.223675D+00 -0.869634D+00  0.199048D+00  0.602949D+00
      3  -0.457321D+01  0.661064D+01  0.161030D-01  0.395047D+01  0.358593D+01
      4   0.195509D+02  0.714026D+01  0.989993D+00  0.372599D+01  0.327576D+01
      5   0.971581D+01  0.780203D+01  0.403517D+01  0.385913D+01  0.254051D+01
      6   0.246409D+02  0.129357D+02  0.186445D+01  0.992977D+01  0.612488D+01
               136           137           138           139           140 
      1   0.189511D+02 -0.548309D+01  0.579415D+01 -0.763613D+01  0.218184D+01
      2  -0.171010D+02  0.428589D+01 -0.111831D+02  0.608932D+01 -0.127877D+01
      3  -0.185006D+01  0.119720D+01  0.538897D+01  0.154681D+01 -0.903067D+00
      4  -0.832263D+01  0.822821D+01 -0.403205D+01  0.906216D+01 -0.742692D+01
      5   0.252753D+02 -0.888473D+01  0.198659D+02 -0.122299D+02  0.970002D+01
      6  -0.762067D+01  0.759774D+01 -0.484577D+01  0.794197D+01 -0.705984D+01
               141           142           143           144           145 
      1   0.278850D+00  0.393293D+01  0.397359D+00  0.282883D+00  0.152897D+00
      2   0.580342D+01 -0.817929D+01  0.356017D+01 -0.946619D+01 -0.235634D+01
      3  -0.608227D+01  0.424636D+01 -0.395753D+01  0.918330D+01  0.220344D+01
      4   0.571532D+01 -0.252043D+01  0.324543D+01 -0.426620D+01 -0.209245D+01
      5  -0.103880D+02  0.151656D+02 -0.620874D+01  0.141401D+02 -0.210828D+01
      6   0.756921D+01 -0.401419D+01  0.535139D+01 -0.582345D+01  0.736015D+00
               146           147           148           149           150 
      1  -0.248053D+01 -0.471041D+01 -0.400142D+01 -0.721252D+00 -0.203866D+01
      2   0.130990D+01  0.173937D+01  0.267435D+01 -0.490371D+00 -0.150452D+01
      3   0.117063D+01  0.297104D+01  0.132707D+01  0.121162D+01  0.354318D+01
      4   0.199003D+01 -0.217467D+00  0.412341D+01  0.330755D+00 -0.432588D+01
      5   0.598086D+00  0.455523D+01  0.178854D+01 -0.406294D+01 -0.477421D+01
      6   0.375813D+00  0.166667D+00 -0.995882D+00  0.127737D+01  0.607978D+01
               151           152           153           154           155 
      1  -0.637306D+01 -0.181975D+01 -0.157028D+02  0.526410D+02 -0.159667D+02
      2   0.661126D+01 -0.812247D+00 -0.190988D+02 -0.243936D+02  0.653915D+01
      3  -0.238199D+00  0.263199D+01  0.348016D+02 -0.282474D+02  0.942760D+01
      4  -0.626049D+00 -0.516897D+01 -0.375417D+01 -0.172162D+02  0.150272D+02
      5   0.121598D+02 -0.291287D+01 -0.393171D+02  0.202710D+00 -0.266270D+00
      6   0.147370D+00  0.622857D+01  0.358715D+00  0.277764D+01 -0.265450D+01
               156           157           158           159           160 
      1   0.648658D+01 -0.240899D+02  0.126570D+02 -0.227298D+01  0.153197D+02
      2  -0.239347D+01  0.102746D+02 -0.169565D+01 -0.275292D+00 -0.679982D+01
      3  -0.409310D+01  0.138153D+02 -0.109614D+02  0.254827D+01 -0.851986D+01
      4  -0.219015D+01  0.189692D+02 -0.128652D+02  0.291044D+01 -0.441676D+01
      5   0.745278D+01  0.853074D+00  0.110457D+01 -0.640688D+01  0.740206D+01
      6  -0.613809D-01 -0.261638D+01  0.118391D+01  0.128349D+01 -0.592433D+00
               161           162           163           164           165 
      1  -0.353942D+01  0.475143D+01  0.122750D+02  0.689360D+01  0.134100D+01
      2   0.669006D+00 -0.415084D+01 -0.258849D+01 -0.774797D+00 -0.687503D+00
      3   0.287041D+01 -0.600589D+00 -0.968648D+01 -0.611880D+01 -0.653496D+00
      4   0.545924D+01 -0.457455D+01  0.102598D+02  0.154211D+02 -0.480376D+00
      5  -0.424914D+01  0.299233D+01 -0.647089D+00 -0.176524D+01  0.230140D+01
      6   0.833159D+00 -0.304707D+00 -0.162274D+01 -0.293166D+01  0.907723D+00
               166           167           168           169           170 
      1   0.114289D+02  0.414925D+01 -0.561852D+00  0.465477D+01  0.321848D+00
      2  -0.622494D+00  0.133436D+02  0.139848D+01 -0.134923D+01  0.132254D+01
      3  -0.108064D+02 -0.174928D+02 -0.836633D+00 -0.330554D+01 -0.164438D+01
      4   0.226147D+02  0.380791D+02 -0.776211D+00  0.128906D+01  0.295497D+01
      5  -0.408258D+01 -0.181052D+01  0.720352D+01  0.308610D+01  0.446382D+01
      6  -0.430804D+01 -0.954216D+01  0.470897D+01  0.161915D+01  0.372645D+01
               171 
      1  -0.100862D+01
      2  -0.178489D-01
      3   0.102647D+01
      4   0.407552D+01
      5  -0.189252D+01
      6  -0.116278D+00
 Leave Link  716 at Thu Jul  8 21:19:29 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927763D+02 -0.431012D+01 -0.177648D+01
      2  -0.431012D+01  0.805899D+02  0.779615D+00
      3  -0.177648D+01  0.779615D+00  0.737104D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.971043D+00 -0.119968D+01 -0.683619D+00
      2   0.343078D+01  0.844406D+00  0.360203D+02
      3  -0.135267D+02 -0.200173D+02 -0.135344D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.356790D+02  0.138038D+02  0.559822D+01
      2  -0.205657D+02 -0.715078D+01 -0.607404D+00
      3  -0.151133D+02 -0.665304D+01 -0.499082D+01
      4   0.186239D+01  0.529642D+02  0.404343D+00
      5   0.858046D+01  0.521792D+00  0.822368D+02
      6  -0.400609D+00  0.492054D+01 -0.432887D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.680918D+01 -0.270912D+01 -0.339901D+00 -0.155706D+01 -0.128817D+01
      2  -0.270912D+01 -0.934051D-02  0.179656D+00 -0.128817D+01  0.219884D+00
      3  -0.339901D+00  0.179656D+00 -0.236459D+00  0.170790D+00  0.142036D+00
                 6             7             8             9            10 
      1   0.170790D+00 -0.136350D+01  0.720416D-01  0.210978D+00 -0.340885D+01
      2   0.142036D+00  0.720416D-01 -0.310816D+00 -0.332070D+00  0.270774D+01
      3  -0.693079D+00  0.210978D+00 -0.332070D+00 -0.833813D+00 -0.143470D+01
                11            12            13            14            15 
      1   0.270774D+01 -0.143470D+01  0.341086D+01  0.596000D+00 -0.580036D-01
      2  -0.582128D-01  0.193162D-01  0.596000D+00 -0.107510D+01 -0.457140D+00
      3   0.193162D-01 -0.946661D+00 -0.580036D-01 -0.457140D+00  0.243090D+01
                16            17            18            19            20 
      1  -0.112870D+01  0.698425D+00 -0.748465D+00  0.214797D+01 -0.208194D+01
      2   0.698425D+00 -0.108609D+01  0.703954D+00 -0.208194D+01  0.319618D+01
      3  -0.748465D+00  0.703954D+00  0.773288D+01  0.371888D+01  0.843945D-01
                21            22            23            24            25 
      1   0.371888D+01 -0.231040D+01  0.297350D+01 -0.233074D+00  0.420424D+01
      2   0.843945D-01  0.297350D+01  0.355301D+01  0.161688D+01 -0.100085D+00
      3  -0.737105D+00 -0.233074D+00  0.161688D+01 -0.201980D+01 -0.639633D+00
                26            27            28            29            30 
      1  -0.100085D+00 -0.639633D+00  0.186190D+01  0.432241D+00 -0.109568D+01
      2   0.119434D+01 -0.196669D+01  0.432241D+00 -0.333549D+01 -0.200679D+00
      3  -0.196669D+01 -0.683618D+01 -0.109568D+01 -0.200679D+00 -0.273526D+01
                31            32            33            34            35 
      1   0.842553D-01 -0.299360D+01  0.427128D+00 -0.108913D+01  0.252855D+00
      2  -0.299360D+01 -0.997730D+00 -0.145202D+01  0.252855D+00 -0.127770D+01
      3   0.427128D+00 -0.145202D+01  0.253659D+01 -0.187665D+01  0.407705D+01
                36            37            38            39            40 
      1  -0.187665D+01 -0.365896D+01 -0.229211D+01  0.303047D+00 -0.204005D+01
      2   0.407705D+01 -0.229211D+01 -0.428975D+00  0.331818D+00 -0.392486D+00
      3   0.405989D+01  0.303047D+00  0.331818D+00  0.892584D+00 -0.119517D+00
                41            42            43            44            45 
      1  -0.392486D+00 -0.119517D+00  0.636733D+00  0.258917D+00 -0.484180D+00
      2  -0.529443D+01  0.474558D+00  0.258917D+00  0.495115D+00 -0.148403D+01
      3   0.474558D+00 -0.834489D+00 -0.484180D+00 -0.148403D+01  0.582927D+00
                46            47            48            49            50 
      1  -0.167278D+02  0.269366D+01  0.891354D+00  0.172222D+01 -0.312975D+01
      2   0.269366D+01 -0.301080D+01 -0.201035D+00 -0.312975D+01  0.226748D+01
      3   0.891354D+00 -0.201035D+00 -0.165502D+01 -0.926868D-01  0.348608D+00
                51            52            53            54            55 
      1  -0.926868D-01  0.196402D+01 -0.244731D+00 -0.361781D+01  0.390550D+01
      2   0.348608D+00 -0.244731D+00  0.556024D+00  0.788187D+00 -0.257157D+00
      3   0.764492D+00 -0.361781D+01  0.788187D+00  0.120625D+01  0.473994D-01
                56            57            58            59            60 
      1  -0.257157D+00  0.473994D-01 -0.296371D+00 -0.174391D+00  0.264247D+00
      2   0.320896D+01  0.215448D+00 -0.174391D+00  0.634383D+01 -0.216555D+00
      3   0.215448D+00  0.108105D+01  0.264247D+00 -0.216555D+00 -0.736431D+00
                61            62            63            64            65 
      1  -0.664056D+00 -0.400847D-01  0.325034D+00  0.878528D+00 -0.387807D+00
      2  -0.400847D-01  0.140402D+00  0.111719D+01 -0.387807D+00 -0.700469D-01
      3   0.325034D+00  0.111719D+01 -0.352812D+00 -0.112342D+01  0.715929D-01
                66            67            68            69            70 
      1  -0.112342D+01 -0.537270D+00 -0.209082D+00  0.443512D-01 -0.172617D+01
      2   0.715929D-01 -0.209082D+00  0.464004D+00 -0.132566D+01  0.142638D-01
      3   0.358263D+00  0.443512D-01 -0.132566D+01 -0.234357D+00  0.390417D-01
                71            72            73            74            75 
      1   0.142638D-01  0.390417D-01  0.177079D+01 -0.171049D+01  0.115261D+01
      2  -0.165987D+01  0.457807D+00 -0.171049D+01  0.238324D+01 -0.727474D+00
      3   0.457807D+00 -0.971145D+01  0.115261D+01 -0.727474D+00  0.109524D+01
                76            77            78            79            80 
      1  -0.147757D+01  0.198012D+01 -0.548285D+00  0.160573D+01 -0.993781D+00
      2   0.198012D+01 -0.561574D+01  0.197212D+01 -0.993781D+00  0.339740D+01
      3  -0.548285D+00  0.197212D+01 -0.183083D+01  0.128323D+01 -0.257920D+01
                81            82            83            84            85 
      1   0.128323D+01  0.744457D+00 -0.852575D+00 -0.136199D+01 -0.542687D+00
      2  -0.257920D+01 -0.852575D+00  0.894113D+00  0.547725D+00  0.101541D+01
      3   0.203771D+01 -0.136199D+01  0.547725D+00  0.111361D+01  0.267559D+00
                86            87            88            89            90 
      1   0.101541D+01  0.267559D+00 -0.209945D+01  0.486224D+00  0.145238D+01
      2  -0.259238D+01 -0.183382D+01  0.486224D+00 -0.298494D+01 -0.368908D+01
      3  -0.183382D+01 -0.194009D+01  0.145238D+01 -0.368908D+01 -0.660778D+01
                91            92            93            94            95 
      1  -0.462750D+01  0.206309D+01  0.421113D+00  0.145866D+01 -0.123710D+01
      2   0.206309D+01 -0.376007D+01 -0.277346D+00 -0.123710D+01  0.146968D+01
      3   0.421113D+00 -0.277346D+00 -0.109579D+01 -0.179722D+00  0.118468D+00
                96            97            98            99           100 
      1  -0.179722D+00  0.884714D+00 -0.330162D+00 -0.571245D+00  0.948304D-02
      2   0.118468D+00 -0.330162D+00  0.714574D+00  0.654814D+00  0.274821D+01
      3   0.520150D+00 -0.571245D+00  0.654814D+00  0.388749D+00 -0.467210D+01
               101           102           103           104           105 
      1   0.274821D+01 -0.467210D+01  0.300538D+01 -0.267507D+01  0.432178D+00
      2  -0.205297D+01  0.371321D+00 -0.267507D+01 -0.453064D+01 -0.257189D+01
      3   0.371321D+00  0.140668D+01  0.432178D+00 -0.257189D+01  0.203716D+01
               106           107           108           109           110 
      1  -0.407966D+01  0.231669D+00  0.129712D+01 -0.124650D+01  0.264035D+01
      2   0.231669D+00 -0.124216D+01  0.182529D+01  0.264035D+01 -0.309230D+01
      3   0.129712D+01  0.182529D+01  0.401522D+01 -0.334961D+01  0.292971D+00
               111           112           113           114           115 
      1  -0.334961D+01  0.286587D+01 -0.382719D+01  0.282451D+00 -0.372657D+01
      2   0.292971D+00 -0.382719D+01 -0.450797D+01 -0.959771D+00  0.288393D+00
      3   0.157196D+01  0.282451D+00 -0.959771D+00  0.177862D+01  0.655973D+00
               116           117           118           119           120 
      1   0.288393D+00  0.655973D+00 -0.400994D+01 -0.872402D+00  0.249437D+01
      2  -0.113384D+01  0.158778D+01 -0.872402D+00 -0.858499D+00  0.268867D+00
      3   0.158778D+01  0.685056D+01  0.249437D+01  0.268867D+00 -0.370445D+01
               121           122           123           124           125 
      1  -0.101338D+01 -0.573945D+00  0.370940D+00  0.211287D+01  0.231021D+00
      2  -0.573945D+00 -0.886266D-01  0.103096D+01  0.231021D+00  0.791134D+00
      3   0.370940D+00  0.103096D+01 -0.117371D+01 -0.213393D+01 -0.628413D+00
               126           127           128           129           130 
      1  -0.213393D+01  0.836237D+00  0.943770D+00  0.945607D+00  0.150103D+01
      2  -0.628413D+00  0.943770D+00  0.120220D+01  0.410857D+00  0.170254D+01
      3   0.367821D+01  0.945607D+00  0.410857D+00  0.277328D+00  0.783884D+00
               131           132           133           134           135 
      1   0.170254D+01  0.783884D+00  0.621372D+00  0.334325D+00  0.232723D+00
      2   0.675177D+01  0.235121D+01  0.334325D+00  0.128576D+01  0.118003D+01
      3   0.235121D+01  0.246196D+01  0.232723D+00  0.118003D+01  0.818155D+00
               136           137           138           139           140 
      1   0.500920D+01 -0.183526D+01  0.302169D+01 -0.253119D+01  0.188619D+01
      2  -0.183526D+01  0.177396D+01 -0.908470D+00  0.188619D+01 -0.154734D+01
      3   0.302169D+01 -0.908470D+00  0.259058D+01 -0.131622D+01  0.149473D+01
               141           142           143           144           145 
      1  -0.131622D+01  0.204688D+01 -0.680985D+00  0.173937D+01 -0.138227D+00
      2   0.149473D+01 -0.680985D+00  0.865551D+00 -0.111009D+01 -0.406256D+00
      3  -0.212677D+01  0.173937D+01 -0.111009D+01  0.225037D+01 -0.693713D+00
               146           147           148           149           150 
      1  -0.406256D+00 -0.693713D+00 -0.730220D+00  0.522362D+00  0.140288D+00
      2   0.774205D-01 -0.540351D-01  0.522362D+00 -0.109188D-02 -0.105479D+01
      3  -0.540351D-01 -0.506802D+00  0.140288D+00 -0.105479D+01 -0.114120D+01
               151           152           153           154           155 
      1  -0.163645D+01 -0.564258D-01  0.132653D+01  0.768869D+01 -0.242131D+01
      2  -0.564258D-01 -0.113540D+01 -0.655857D+00 -0.242131D+01  0.204510D+01
      3   0.132653D+01 -0.655857D+00 -0.909824D+01  0.864332D+00 -0.326333D+00
               156           157           158           159           160 
      1   0.864332D+00 -0.398396D+01  0.258788D+01 -0.213470D+00  0.254420D+01
      2  -0.326333D+00  0.258788D+01 -0.178286D+01  0.461191D+00 -0.554200D+00
      3   0.101097D+01 -0.213470D+00  0.461191D+00 -0.106801D+01  0.106302D+01
               161           162           163           164           165 
      1  -0.554200D+00  0.106302D+01  0.215584D+01  0.159738D+01  0.210709D+00
      2   0.837868D+00 -0.740398D+00  0.159738D+01  0.189553D+01 -0.985934D-01
      3  -0.740398D+00  0.291554D+00  0.210709D+00 -0.985934D-01  0.219275D+00
               166           167           168           169           170 
      1   0.297188D+01  0.323678D+01 -0.422834D+00  0.892932D+00  0.132319D+00
      2   0.323678D+01  0.696424D+01 -0.139131D+00  0.132319D+00  0.552650D+00
      3  -0.422834D+00 -0.139131D+00  0.126889D+01  0.446537D+00  0.793723D+00
               171 
      1   0.446537D+00
      2   0.793723D+00
      3  -0.472195D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.752871D+00  0.377518D+01 -0.825060D+00  0.283750D+01  0.176323D+01
      2  -0.196047D+01 -0.322758D+01 -0.968074D+01 -0.214096D+01 -0.869258D+00
      3  -0.219228D+01  0.684608D+01  0.117550D+01  0.184981D+00 -0.378464D+01
                 6             7             8             9            10 
      1   0.437151D+01  0.148813D+01  0.123730D+02 -0.200180D+01  0.234240D+00
      2   0.273811D+01 -0.132529D+02 -0.330211D+01  0.375770D+01 -0.345902D+01
      3  -0.152423D+01  0.259173D+01 -0.514479D+01  0.216467D+00  0.139282D+01
                11            12            13            14            15 
      1  -0.998811D+00 -0.241891D+01 -0.205062D+01  0.106792D+01 -0.137821D+01
      2   0.241536D+01  0.123672D+01  0.420631D+01  0.479290D+00  0.334310D+01
      3  -0.207956D+01 -0.780509D+00  0.727690D+01 -0.721031D+00  0.112208D+01
                16            17            18            19            20 
      1  -0.107818D+01  0.245381D+01 -0.186055D+01 -0.682367D+00 -0.169375D+00
      2  -0.311339D+01  0.911272D+00 -0.492540D+01  0.840767D+01 -0.237971D+00
      3  -0.890058D+00  0.221363D+01 -0.180288D+01  0.293141D+01 -0.897104D+01
                21            22            23            24            25 
      1   0.710714D+00 -0.135373D+00  0.649252D+00 -0.610595D+01  0.402348D+00
      2   0.411820D+01 -0.971105D+00  0.196984D+01 -0.263037D+01 -0.523967D+01
      3   0.161631D+00 -0.415562D+00 -0.649499D+01 -0.286885D+01  0.835834D+00
                26            27            28            29            30 
      1   0.245399D+01 -0.969937D+00  0.103489D+00  0.185546D+01 -0.494732D+01
      2  -0.260388D+01 -0.484376D+01 -0.171973D+01  0.608129D+00 -0.256731D+01
      3  -0.248485D+01  0.199983D+01 -0.925810D+01  0.125234D+01  0.637025D+00
                31            32            33            34            35 
      1   0.296141D+01 -0.375897D+01  0.572843D+01 -0.323646D+01  0.129977D+02
      2  -0.179111D+00 -0.258014D+01  0.192412D+01 -0.637483D+01  0.497846D+01
      3   0.406557D+01  0.672039D+01  0.178527D+01  0.262314D+00  0.133943D+01
                36            37            38            39            40 
      1   0.669482D+01 -0.497455D+00 -0.151301D+01 -0.111400D+00  0.129839D+01
      2   0.296030D+01 -0.315432D+00  0.124981D+01  0.643158D+01  0.423890D+00
      3   0.153898D+01  0.918562D+01 -0.234491D+01 -0.951273D+00  0.117756D+02
                41            42            43            44            45 
      1   0.150172D+01 -0.649171D+01 -0.460713D+01 -0.190136D+01  0.185115D+01
      2  -0.254186D+00 -0.870227D+00 -0.305774D+01  0.367406D+01 -0.159748D+01
      3  -0.469620D+01 -0.225458D+00 -0.298354D+01  0.411306D+00 -0.327023D+00
                46            47            48            49            50 
      1   0.126372D+01 -0.102175D+01  0.150311D+01 -0.104941D+01 -0.333140D+00
      2  -0.296856D+01  0.382932D+00  0.139637D+02  0.994172D+00 -0.639890D+00
      3   0.868451D+01 -0.186605D+02 -0.652625D+00 -0.273313D+01  0.858507D+01
                51            52            53            54            55 
      1  -0.356999D+01 -0.207503D+01  0.480932D+00  0.703712D+00  0.146061D+01
      2  -0.200459D+01  0.469904D+01  0.837606D+00 -0.435835D+01 -0.317512D+00
      3   0.852792D+00 -0.426297D+00  0.408849D+01  0.269324D+01  0.127724D+02
                56            57            58            59            60 
      1  -0.137716D+01 -0.167865D+01  0.130803D+00 -0.359737D+01 -0.614028D+01
      2   0.818364D+00  0.138968D+01 -0.608313D+00 -0.764727D+00 -0.103413D+01
      3  -0.138002D+01 -0.111895D+01  0.560229D+01  0.393218D+01  0.217423D+00
                61            62            63            64            65 
      1  -0.781533D+00  0.159755D+01 -0.210225D+01  0.272084D+00 -0.140279D+00
      2  -0.359517D+01  0.398456D+00 -0.213788D+00  0.224767D+01 -0.271588D+00
      3  -0.141500D+01  0.232044D+00  0.173590D+01  0.602603D+00 -0.102832D+01
                66            67            68            69            70 
      1   0.277815D+00 -0.392567D+00  0.568549D+00  0.760022D+00 -0.505283D+00
      2  -0.333042D+00 -0.974765D+00  0.467309D+00 -0.159329D-01 -0.451959D+01
      3  -0.585387D+00  0.271040D+00  0.147465D+00 -0.409199D+00 -0.822345D+00
                71            72            73            74            75 
      1   0.392952D+01  0.489602D+01  0.275510D+01 -0.166265D+01  0.297463D+01
      2   0.302319D+00  0.355047D+01  0.804568D+00 -0.790676D+00  0.207416D+01
      3  -0.712184D+00  0.596513D+00 -0.275937D+01 -0.124397D-01 -0.180355D+01
                76            77            78            79            80 
      1  -0.186530D+01  0.457678D+01 -0.561905D+01  0.307997D+01 -0.401585D+01
      2   0.234068D+00  0.186454D+01 -0.205997D+01 -0.709156D-01 -0.228090D+01
      3   0.425935D+01 -0.661231D+00 -0.187133D+00 -0.385586D+01 -0.101255D+01
                81            82            83            84            85 
      1   0.580773D+01 -0.256617D+01  0.180155D+00  0.215063D+01 -0.154264D+00
      2   0.219649D+01  0.107238D+00 -0.182251D+00  0.660952D+00 -0.613870D+00
      3  -0.104754D+01 -0.143482D+01 -0.305054D+00  0.247905D+01  0.147785D+01
                86            87            88            89            90 
      1  -0.180638D+01 -0.436488D+01  0.320854D+01 -0.296594D+01 -0.120772D+02
      2  -0.799848D+00 -0.149508D+01 -0.234605D+01 -0.250603D+01 -0.451548D+01
      3  -0.109921D+01  0.425794D+00  0.525455D+01  0.107784D+01 -0.140330D+01
                91            92            93            94            95 
      1  -0.218097D+01  0.151028D+01  0.265092D+01  0.326573D+00 -0.760238D+00
      2  -0.325812D+00  0.121885D+00  0.176850D+01  0.113759D+00  0.105145D+00
      3  -0.130014D+02 -0.518801D+00  0.140555D+01  0.146139D+01 -0.270228D+01
                96            97            98            99           100 
      1  -0.129044D+01  0.855487D+00 -0.544381D+00 -0.107828D+01  0.630987D+01
      2  -0.695977D+00 -0.388168D+00 -0.769048D+00 -0.346632D+00 -0.624475D+01
      3  -0.110588D+00  0.215637D+01 -0.375078D+00 -0.480297D+00 -0.342410D+01
               101           102           103           104           105 
      1  -0.422655D+01 -0.210724D+00 -0.550166D+01 -0.921510D+01 -0.921483D+01
      2  -0.453200D+01  0.150854D+02 -0.480913D+01  0.130439D+01  0.193847D+01
      3   0.181673D+01 -0.227105D+01  0.701492D+01  0.556745D+01  0.343394D+01
               106           107           108           109           110 
      1   0.518524D+00 -0.233025D+01  0.328838D+01 -0.137927D+01  0.322657D+01
      2   0.740654D+01  0.176438D+01  0.160605D+01 -0.115105D+02  0.289518D+01
      3  -0.156929D+01  0.224043D+01 -0.205564D+01 -0.767576D+01  0.728755D+01
               111           112           113           114           115 
      1  -0.687717D+00  0.430578D+01  0.481972D+01 -0.173504D+01  0.289546D+00
      2   0.188762D+01  0.331638D+01 -0.594993D+01  0.479170D+01 -0.516934D+01
      3  -0.146715D+01  0.162752D+02  0.117322D+02  0.166982D+01 -0.200816D+01
               116           117           118           119           120 
      1   0.223393D+01 -0.367615D+01 -0.238225D+01 -0.292643D+01  0.941282D+00
      2   0.392888D+01  0.194158D+02  0.133313D+02  0.248637D+01 -0.660666D+01
      3   0.303816D+01 -0.416684D+01 -0.116703D+00 -0.920036D+00  0.347537D+00
               121           122           123           124           125 
      1  -0.143846D+01 -0.591925D+00  0.936606D+00  0.111971D+01  0.305243D+01
      2   0.301960D+01  0.234805D+01 -0.168130D+01 -0.844385D+01 -0.123496D+01
      3   0.129864D+01 -0.175096D+00 -0.103049D+01  0.266645D-02 -0.488411D-01
               126           127           128           129           130 
      1  -0.178368D+01  0.127867D+01  0.205026D+01  0.281386D+00  0.247755D+01
      2   0.728457D+01  0.282301D+00 -0.902661D+00 -0.125287D+00 -0.224816D+01
      3   0.706877D-01 -0.648599D+00 -0.196012D+01 -0.286245D+00  0.861427D+00
               131           132           133           134           135 
      1   0.132189D+02  0.396751D+00  0.844340D+00  0.293100D+01  0.164925D+01
      2   0.590183D+00  0.266022D+01 -0.162950D+01  0.856521D+00  0.773653D+00
      3  -0.948518D+01 -0.272046D+01 -0.311547D-02 -0.158470D+01 -0.177052D+01
               136           137           138           139           140 
      1  -0.418890D+01  0.463456D+01 -0.127852D+01  0.356601D+01 -0.380637D+01
      2  -0.543532D+01  0.236391D+01  0.697902D+00  0.357475D+01 -0.137020D+01
      3   0.250478D+01 -0.460200D+01  0.163191D+01 -0.160835D+01  0.325765D+01
               141           142           143           144           145 
      1   0.142464D+01 -0.176659D+01  0.310830D+01 -0.209397D+01  0.598061D+00
      2  -0.140402D+01 -0.316703D+01 -0.773485D-01  0.569777D+00 -0.258023D+01
      3  -0.205069D+01  0.914421D+00 -0.186295D+01  0.185346D+01  0.100306D+01
               146           147           148           149           150 
      1   0.164081D+00  0.615882D-01 -0.308553D+00  0.588109D+00  0.284563D+00
      2  -0.517092D+00 -0.664764D+00 -0.946599D+00 -0.188391D+01 -0.280366D+01
      3  -0.100526D+01 -0.551375D-01 -0.428558D+00  0.181743D+00  0.238759D+01
               151           152           153           154           155 
      1  -0.438583D-01  0.424007D+01  0.279699D+01  0.195360D+01 -0.149338D+01
      2  -0.221846D+01 -0.205203D+01 -0.219805D+02  0.852466D+01 -0.330429D+01
      3   0.146821D+00  0.307690D+01  0.199861D+01  0.707154D+01 -0.812428D+01
               156           157           158           159           160 
      1   0.106092D+01 -0.177914D+01  0.107816D+01 -0.172641D+01  0.267431D+00
      2   0.585869D+01 -0.364648D+01  0.349982D+01 -0.442104D+01  0.335712D+01
      3   0.125525D+01 -0.566070D+01  0.621372D+01 -0.155125D+01  0.149307D+01
               161           162           163           164           165 
      1   0.233640D+00  0.921689D+00 -0.159918D+01 -0.186716D+01 -0.454695D+00
      2  -0.246239D+01  0.223424D+01  0.223819D+01  0.101719D+01  0.166347D+01
      3  -0.297285D+01  0.213300D+01 -0.348870D+01 -0.558590D+01  0.482613D+00
               166           167           168           169           170 
      1  -0.233492D+01 -0.635584D+01 -0.312456D+01 -0.128863D+00 -0.325566D-01
      2   0.125557D+01  0.248351D+01  0.372059D+01  0.730572D+00  0.178802D+01
      3  -0.458557D+01 -0.186693D+02 -0.105533D+00  0.315872D+00 -0.151946D+01
               171 
      1  -0.570089D+00
      2  -0.678566D+00
      3  -0.178264D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.488960D+02  0.282634D+01  0.548275D+00  0.126530D+02  0.829004D+01
      2   0.278050D+02  0.168203D+01 -0.388539D+01 -0.862610D+01 -0.107082D+02
      3   0.210910D+02 -0.450837D+01  0.333711D+01 -0.402686D+01  0.241812D+01
      4   0.102617D+02 -0.112266D+02 -0.238752D+00 -0.694287D+00  0.712383D+01
      5   0.238595D+01  0.278601D+00 -0.140497D+02 -0.102465D+01  0.617628D+00
      6  -0.431156D-01 -0.464164D+00  0.372151D+01  0.173821D-01  0.714599D-01
                 6             7             8             9            10 
      1  -0.232356D+01  0.907058D+01 -0.227011D+01 -0.644361D+01 -0.297278D+01
      2   0.560127D+00 -0.645408D+01  0.136295D+00 -0.365399D+01  0.593282D+01
      3   0.176343D+01 -0.261651D+01  0.213382D+01  0.100976D+02 -0.296005D+01
      4   0.718680D+00 -0.891100D+00  0.278256D+01  0.124664D+01 -0.265785D+01
      5   0.860282D+01  0.407246D+01  0.248020D-01  0.620824D+01 -0.152232D+01
      6  -0.511529D+01  0.598911D+00  0.211192D+01  0.110849D+01 -0.526311D+00
                11            12            13            14            15 
      1  -0.207432D+01 -0.756407D+00  0.672145D+01 -0.603164D+00  0.262076D+01
      2   0.324465D+01 -0.133840D+00 -0.314972D+01 -0.519263D+01  0.519459D+01
      3  -0.117033D+01  0.890247D+00 -0.357173D+01  0.579579D+01 -0.781535D+01
      4  -0.893633D+00  0.763932D-01 -0.431165D+01  0.202054D+01 -0.107714D+01
      5  -0.165063D+01  0.359832D+00 -0.204605D+01  0.639675D-01  0.390396D+01
      6  -0.156077D+01  0.217693D+01 -0.920783D+00  0.242405D+00 -0.151240D+01
                16            17            18            19            20 
      1  -0.691928D+01  0.568066D+00  0.149067D+02 -0.294507D+01 -0.305110D+01
      2   0.267636D+01 -0.318788D+01  0.155015D+02 -0.365257D+01 -0.181868D+01
      3   0.424292D+01  0.261982D+01 -0.304082D+02  0.659764D+01  0.486978D+01
      4  -0.125129D+01 -0.529325D+00 -0.293184D+01 -0.441572D+01  0.542179D+01
      5   0.321709D+00 -0.106149D+01 -0.209568D+01  0.145667D+02  0.134519D+01
      6  -0.282981D+01  0.774643D+00  0.789890D+01  0.499536D+00  0.244744D+01
                21            22            23            24            25 
      1   0.107194D+02 -0.826443D+01  0.111323D+02  0.150872D+01  0.152388D+02
      2  -0.484233D+01  0.463029D+01 -0.101938D+02 -0.239339D+00 -0.635951D+01
      3  -0.587703D+01  0.363414D+01 -0.938484D+00 -0.126939D+01 -0.887926D+01
      4   0.233106D+00  0.924248D+01  0.785379D+01  0.208362D+01  0.385403D+00
      5  -0.280151D+01  0.793938D+00  0.186589D+01 -0.514547D+01 -0.330841D+01
      6  -0.270781D+01  0.145915D+01 -0.282717D+01  0.390522D+01 -0.282638D+01
                26            27            28            29            30 
      1   0.504024D+00 -0.548633D+01 -0.122344D+01 -0.920139D+01 -0.338326D+01
      2   0.476982D+00  0.533208D+01  0.108923D+01  0.142828D+02 -0.109983D+01
      3  -0.981007D+00  0.154248D+00  0.134210D+00 -0.508143D+01  0.448309D+01
      4   0.198097D+01 -0.576412D+01 -0.283606D+01 -0.140109D+02  0.219635D+01
      5  -0.518857D+01 -0.134806D+02 -0.397145D+01  0.918874D+00 -0.702527D+01
      6   0.308869D+01 -0.155867D+01  0.816208D+00 -0.826943D+00  0.112443D+02
                31            32            33            34            35 
      1  -0.588925D+01 -0.165524D+01  0.265049D+00 -0.287705D+01  0.140383D+01
      2   0.922003D+01  0.177782D+01  0.708795D+01 -0.224198D+01  0.802479D+01
      3  -0.333078D+01 -0.122582D+00 -0.735300D+01  0.511903D+01 -0.942862D+01
      4  -0.792411D+01  0.559387D+01 -0.318934D+01  0.265731D+01 -0.306441D+01
      5   0.482089D+00 -0.186888D+01  0.381329D+01 -0.462545D+01  0.876661D+01
      6  -0.294379D+01  0.846313D+01 -0.135512D+02  0.994446D+01 -0.190355D+02
                36            37            38            39            40 
      1   0.130834D+02  0.641775D+01  0.395438D+01  0.126090D+01 -0.264139D+01
      2  -0.107304D+02  0.816586D+00 -0.155245D+01  0.892104D+00  0.364292D+01
      3  -0.235303D+01 -0.723433D+01 -0.240192D+01 -0.215301D+01 -0.100153D+01
      4   0.119956D+02  0.107864D+02  0.183225D+02 -0.928005D+00  0.115129D+02
      5   0.759338D+01  0.135304D+01  0.521036D+00  0.929059D+01  0.559473D+00
      6  -0.141215D+02  0.462916D+00 -0.122658D+01 -0.199307D+01  0.369600D+00
                41            42            43            44            45 
      1  -0.156122D+02  0.136978D+01 -0.329681D+00  0.350004D+00 -0.482282D+01
      2   0.256933D+02 -0.867124D+00  0.254698D+00 -0.144449D+00  0.319178D+01
      3  -0.100811D+02 -0.502655D+00  0.749836D-01 -0.205555D+00  0.163104D+01
      4   0.884649D+01 -0.879709D+00 -0.115096D+01 -0.125708D+01  0.540022D+01
      5   0.901696D+00 -0.246084D+01  0.337861D+01  0.385697D+01 -0.161484D+01
      6  -0.608728D+00  0.105307D+02  0.165843D+01  0.921082D+01 -0.177953D+01
                46            47            48            49            50 
      1   0.982090D+02 -0.107481D+02 -0.340187D+01 -0.102442D+02  0.898020D+01
      2  -0.559710D+02  0.611874D+01  0.324898D+01  0.602399D+01 -0.826843D+00
      3  -0.422380D+02  0.462932D+01  0.152886D+00  0.422026D+01 -0.815335D+01
      4  -0.839022D+01  0.216127D+02  0.681593D+00  0.216792D+02 -0.826589D+01
      5  -0.229807D+01  0.411733D+00  0.233405D+02  0.969387D+00 -0.133433D+01
      6   0.246777D+00  0.674592D+00 -0.227644D+01 -0.800181D+00 -0.281554D+00
                51            52            53            54            55 
      1   0.707921D+00 -0.850291D+01  0.159312D+01  0.130413D+02 -0.104973D+01
      2  -0.288150D+00  0.611780D+01 -0.343400D+00 -0.116732D+02 -0.612501D+00
      3  -0.419770D+00  0.238510D+01 -0.124972D+01 -0.136808D+01  0.166223D+01
      4  -0.235598D+01  0.143779D+01 -0.308345D+01 -0.136536D+01  0.146905D+02
      5  -0.501200D+01  0.242012D+02 -0.370592D+01 -0.744873D+01  0.356778D+00
      6   0.516384D+01 -0.329516D+00  0.432172D+01  0.193549D-01 -0.165129D+01
                56            57            58            59            60 
      1  -0.339775D+01  0.647357D+00 -0.248917D+01 -0.236829D+02 -0.212791D+01
      2   0.713047D+01  0.101669D+01  0.151274D+01  0.382511D+02 -0.378560D+01
      3  -0.373272D+01 -0.166405D+01  0.976436D+00 -0.145682D+02  0.591351D+01
      4  -0.255060D+01 -0.159912D+01  0.502280D+01 -0.452245D+01  0.111630D+01
      5  -0.849362D+00  0.291304D+01  0.611720D+00  0.661956D-01 -0.225742D+01
      6   0.472064D+00  0.148123D+01  0.121594D+01 -0.211043D+01  0.945042D+01
                61            62            63            64            65 
      1   0.213258D+00 -0.611002D+00 -0.686788D+01 -0.406677D+00  0.929589D+00
      2   0.316100D+00  0.289162D+01  0.121912D+01 -0.425859D+01 -0.371188D+00
      3  -0.529358D+00 -0.228062D+01  0.564877D+01  0.466526D+01 -0.558401D+00
      4  -0.125304D+01  0.805592D+00  0.265106D+00  0.115580D+01  0.191561D+01
      5   0.278237D+01 -0.124300D+01  0.101729D+00  0.404553D+00 -0.362512D+00
      6   0.798564D+00  0.905331D+01  0.219493D+00 -0.150722D+01  0.174981D+00
                66            67            68            69            70 
      1   0.468590D+00 -0.899741D-01 -0.379757D+01  0.804649D+00  0.152402D+01
      2  -0.229298D-01  0.546116D+00  0.198029D+00 -0.316002D+01  0.124780D+00
      3  -0.445660D+00 -0.456142D+00  0.359954D+01  0.235537D+01 -0.164880D+01
      4  -0.158085D+01  0.170776D+01  0.109106D-01  0.667295D+00 -0.153776D+01
      5   0.684977D+01  0.317956D+00  0.392023D+00 -0.344822D-02  0.581099D+01
      6  -0.861300D-01  0.167533D+00 -0.193210D+01  0.655150D+01  0.611878D+00
                71            72            73            74            75 
      1   0.326481D+01 -0.217464D+02  0.863477D+00  0.280138D+01 -0.317813D+00
      2  -0.255935D+01 -0.204285D+02  0.436450D+01 -0.913115D+01  0.184499D+01
      3  -0.705459D+00  0.421749D+02 -0.522798D+01  0.632977D+01 -0.152717D+01
      4   0.153029D+01  0.160487D+01 -0.962082D+01  0.131144D+02 -0.564933D+01
      5   0.217251D+00  0.458353D+01  0.340845D+01 -0.305585D+01  0.394915D+01
      6   0.629622D+01 -0.120466D+02 -0.570236D+01  0.436806D+01 -0.498666D+01
                76            77            78            79            80 
      1   0.382383D+01 -0.151600D+02  0.521256D+01 -0.420163D+00  0.873233D+01
      2  -0.829019D+01  0.283784D+02 -0.946281D+01  0.248565D+01 -0.148486D+02
      3   0.446637D+01 -0.132184D+02  0.425024D+01 -0.206549D+01  0.611626D+01
      4   0.984126D+01 -0.144878D+02  0.507928D+01 -0.753074D+01  0.846648D+01
      5  -0.224740D+01  0.376044D+01 -0.350430D+01  0.444023D+01 -0.517758D+01
      6   0.342345D+01 -0.126214D+02  0.105571D+02 -0.609767D+01  0.147241D+02
                81            82            83            84            85 
      1  -0.810299D+01 -0.816937D+00  0.125255D+01  0.104601D+00  0.243381D+01
      2   0.763255D+01  0.202290D+00 -0.264848D+01  0.306604D+00 -0.363448D+01
      3   0.470444D+00  0.614647D+00  0.139592D+01 -0.411204D+00  0.120067D+01
      4  -0.725737D+01 -0.362783D+01  0.682713D+01  0.525273D+01  0.491082D+01
      5   0.437648D+01 -0.327451D+01  0.302262D+01  0.661104D+01  0.161558D+01
      6  -0.108322D+02  0.583610D+01 -0.244929D+01 -0.459097D+01 -0.199086D+01
                86            87            88            89            90 
      1  -0.962416D+01 -0.705026D+01  0.134917D+01 -0.115485D+02 -0.173514D+02
      2   0.112294D+02  0.634033D+01  0.108575D+01  0.864425D+01  0.334711D+01
      3  -0.160523D+01  0.709929D+00 -0.243492D+01  0.290428D+01  0.140042D+02
      4  -0.579950D+01 -0.269507D+01  0.627350D+01 -0.542415D+01 -0.759989D+01
      5  -0.302982D+01 -0.295880D+01  0.737139D+01 -0.615363D+01 -0.103674D+02
      6   0.107877D+02  0.129431D+02 -0.650929D+01  0.196217D+02  0.275841D+02
                91            92            93            94            95 
      1   0.641834D+01  0.260763D+01 -0.744476D+00 -0.727256D+00 -0.544233D+00
      2   0.279947D+01 -0.102413D+02 -0.896211D+00 -0.320968D+01  0.543916D+01
      3  -0.921781D+01  0.763364D+01  0.164069D+01  0.393694D+01 -0.489493D+01
      4  -0.205228D+02  0.153311D+02  0.231879D+01  0.774320D+01 -0.649650D+01
      5  -0.605742D+00  0.513505D+00  0.214585D+01  0.156347D+00 -0.429405D+00
      6   0.197427D+01 -0.512538D+00 -0.377943D+01 -0.656738D+00  0.415395D+00
                96            97            98            99           100 
      1   0.105070D+00 -0.144564D+00 -0.908827D+00 -0.717842D+00  0.484361D+01
      2   0.237879D+00 -0.827782D+00  0.171853D+01  0.289139D+00  0.926098D+01
      3  -0.342950D+00  0.972347D+00 -0.809703D+00  0.428703D+00 -0.141046D+02
      4  -0.803336D+00  0.297524D+01 -0.202975D+01 -0.297967D+01  0.868983D+01
      5  -0.847282D+00  0.310302D+01 -0.205531D+01 -0.742236D+00 -0.110037D+02
      6   0.204777D+01 -0.268284D+01  0.344036D+01  0.158957D+01  0.977571D+01
               101           102           103           104           105 
      1   0.917995D+01 -0.155126D+02  0.115273D+02 -0.126507D+01  0.150270D+01
      2  -0.635784D+01  0.338714D+01 -0.935577D+01 -0.633868D+00 -0.784984D+01
      3  -0.282211D+01  0.121254D+02 -0.217157D+01  0.189894D+01  0.634713D+01
      4  -0.580898D+01  0.315739D+01 -0.864962D+01 -0.118308D+02 -0.805634D+01
      5   0.997772D+01 -0.126571D+02  0.107358D+02 -0.129884D+02  0.606844D+01
      6  -0.755296D+01  0.185817D+01 -0.100415D+02 -0.134523D+02 -0.741988D+01
               106           107           108           109           110 
      1  -0.139415D+02 -0.867802D-01 -0.383775D+01 -0.122077D+02  0.172495D+02
      2   0.236759D+01 -0.670536D+01 -0.644133D+01  0.784893D+00 -0.982230D+01
      3   0.115739D+02  0.679214D+01  0.102791D+02  0.114228D+02 -0.742723D+01
      4   0.196192D+01 -0.458819D+01  0.552377D+01  0.167128D+02 -0.170547D+02
      5  -0.116694D+02  0.529162D+01  0.134421D+02 -0.178395D+02 -0.771808D+00
      6   0.210303D+01 -0.586165D+01  0.740243D+01 -0.416385D+01  0.343894D+01
               111           112           113           114           115 
      1  -0.162222D+02  0.215153D+02 -0.161182D+02  0.468459D+01 -0.209516D+02
      2   0.951784D+01 -0.148510D+02  0.380614D-01  0.188244D+00  0.904928D+01
      3   0.670432D+01 -0.666432D+01  0.160801D+02 -0.487283D+01  0.119023D+02
      4   0.143611D+01 -0.237700D+02 -0.231765D+02 -0.405376D+01  0.261886D+01
      5   0.836997D+01 -0.260900D+00 -0.233143D+01  0.682991D+01  0.670630D+01
      6   0.184638D+00  0.482129D+01  0.527482D+01  0.157556D+01  0.898732D+00
               116           117           118           119           120 
      1   0.523621D+01  0.156697D+02 -0.797520D+01 -0.245478D+01  0.133472D+02
      2  -0.914352D+00  0.711566D+01 -0.302985D+01  0.524180D+00  0.537807D+01
      3  -0.432186D+01 -0.227854D+02  0.110051D+02  0.193060D+01 -0.187253D+02
      4  -0.641095D+01  0.809432D+01 -0.147364D+01  0.119702D+01  0.302269D+00
      5   0.682716D+01  0.245585D+02 -0.111517D+02 -0.277013D+01  0.691417D+01
      6   0.167846D+01 -0.231314D+01 -0.309599D+01 -0.406981D+01  0.155628D+01
               121           122           123           124           125 
      1  -0.326199D+01 -0.355438D+01  0.318178D+01  0.948739D+01  0.204260D+01
      2   0.120289D+01  0.772369D+00  0.188482D+01  0.317638D+01  0.135265D+01
      3   0.205910D+01  0.278201D+01 -0.506659D+01 -0.126638D+02 -0.339525D+01
      4   0.216847D+01  0.115125D+01  0.100509D+01  0.589044D+00  0.604743D+00
      5  -0.316168D+01 -0.332516D+00 -0.465291D+00  0.834264D+01  0.338753D+00
      6  -0.250720D+01 -0.114174D+01  0.600686D+01  0.132706D+01  0.509586D+01
               126           127           128           129           130 
      1  -0.145984D+02  0.142318D+01  0.141600D+01  0.196231D+01  0.210505D+01
      2  -0.771104D+01 -0.942658D+00  0.473735D+00 -0.100283D+01  0.175354D+00
      3   0.223095D+02 -0.480521D+00 -0.188974D+01 -0.959472D+00 -0.228040D+01
      4  -0.988616D+00  0.430926D+01  0.772649D+01  0.204098D+01  0.952757D+01
      5  -0.535438D+01  0.469242D+01  0.356878D+01  0.532472D+01  0.616926D+01
      6  -0.263014D+01  0.280836D+01  0.469958D+01  0.203024D+01  0.658852D+01
               131           132           133           134           135 
      1  -0.877884D+01 -0.638696D+01  0.853531D+00 -0.414952D+01 -0.418888D+01
      2   0.133520D+02 -0.223675D+00 -0.869634D+00  0.199048D+00  0.602949D+00
      3  -0.457321D+01  0.661064D+01  0.161030D-01  0.395047D+01  0.358593D+01
      4   0.195509D+02  0.714026D+01  0.989993D+00  0.372599D+01  0.327576D+01
      5   0.971581D+01  0.780203D+01  0.403517D+01  0.385913D+01  0.254051D+01
      6   0.246409D+02  0.129357D+02  0.186445D+01  0.992977D+01  0.612488D+01
               136           137           138           139           140 
      1   0.189511D+02 -0.548309D+01  0.579415D+01 -0.763613D+01  0.218184D+01
      2  -0.171010D+02  0.428589D+01 -0.111831D+02  0.608932D+01 -0.127877D+01
      3  -0.185006D+01  0.119720D+01  0.538897D+01  0.154681D+01 -0.903067D+00
      4  -0.832263D+01  0.822821D+01 -0.403205D+01  0.906216D+01 -0.742692D+01
      5   0.252753D+02 -0.888473D+01  0.198659D+02 -0.122299D+02  0.970002D+01
      6  -0.762067D+01  0.759774D+01 -0.484577D+01  0.794197D+01 -0.705984D+01
               141           142           143           144           145 
      1   0.278850D+00  0.393293D+01  0.397359D+00  0.282883D+00  0.152897D+00
      2   0.580342D+01 -0.817929D+01  0.356017D+01 -0.946619D+01 -0.235634D+01
      3  -0.608227D+01  0.424636D+01 -0.395753D+01  0.918330D+01  0.220344D+01
      4   0.571532D+01 -0.252043D+01  0.324543D+01 -0.426620D+01 -0.209245D+01
      5  -0.103880D+02  0.151656D+02 -0.620874D+01  0.141401D+02 -0.210828D+01
      6   0.756921D+01 -0.401419D+01  0.535139D+01 -0.582345D+01  0.736015D+00
               146           147           148           149           150 
      1  -0.248053D+01 -0.471041D+01 -0.400142D+01 -0.721252D+00 -0.203866D+01
      2   0.130990D+01  0.173937D+01  0.267435D+01 -0.490371D+00 -0.150452D+01
      3   0.117063D+01  0.297104D+01  0.132707D+01  0.121162D+01  0.354318D+01
      4   0.199003D+01 -0.217467D+00  0.412341D+01  0.330755D+00 -0.432588D+01
      5   0.598086D+00  0.455523D+01  0.178854D+01 -0.406294D+01 -0.477421D+01
      6   0.375813D+00  0.166667D+00 -0.995882D+00  0.127737D+01  0.607978D+01
               151           152           153           154           155 
      1  -0.637306D+01 -0.181975D+01 -0.157028D+02  0.526410D+02 -0.159667D+02
      2   0.661126D+01 -0.812247D+00 -0.190988D+02 -0.243936D+02  0.653915D+01
      3  -0.238199D+00  0.263199D+01  0.348016D+02 -0.282474D+02  0.942760D+01
      4  -0.626049D+00 -0.516897D+01 -0.375417D+01 -0.172162D+02  0.150272D+02
      5   0.121598D+02 -0.291287D+01 -0.393171D+02  0.202710D+00 -0.266270D+00
      6   0.147370D+00  0.622857D+01  0.358715D+00  0.277764D+01 -0.265450D+01
               156           157           158           159           160 
      1   0.648658D+01 -0.240899D+02  0.126570D+02 -0.227298D+01  0.153197D+02
      2  -0.239347D+01  0.102746D+02 -0.169565D+01 -0.275292D+00 -0.679982D+01
      3  -0.409310D+01  0.138153D+02 -0.109614D+02  0.254827D+01 -0.851986D+01
      4  -0.219015D+01  0.189692D+02 -0.128652D+02  0.291044D+01 -0.441676D+01
      5   0.745278D+01  0.853074D+00  0.110457D+01 -0.640688D+01  0.740206D+01
      6  -0.613809D-01 -0.261638D+01  0.118391D+01  0.128349D+01 -0.592433D+00
               161           162           163           164           165 
      1  -0.353942D+01  0.475143D+01  0.122750D+02  0.689360D+01  0.134100D+01
      2   0.669006D+00 -0.415084D+01 -0.258849D+01 -0.774797D+00 -0.687503D+00
      3   0.287041D+01 -0.600589D+00 -0.968648D+01 -0.611880D+01 -0.653496D+00
      4   0.545924D+01 -0.457455D+01  0.102598D+02  0.154211D+02 -0.480376D+00
      5  -0.424914D+01  0.299233D+01 -0.647089D+00 -0.176524D+01  0.230140D+01
      6   0.833159D+00 -0.304707D+00 -0.162274D+01 -0.293166D+01  0.907723D+00
               166           167           168           169           170 
      1   0.114289D+02  0.414925D+01 -0.561852D+00  0.465477D+01  0.321848D+00
      2  -0.622494D+00  0.133436D+02  0.139848D+01 -0.134923D+01  0.132254D+01
      3  -0.108064D+02 -0.174928D+02 -0.836633D+00 -0.330554D+01 -0.164438D+01
      4   0.226147D+02  0.380791D+02 -0.776211D+00  0.128906D+01  0.295497D+01
      5  -0.408258D+01 -0.181052D+01  0.720352D+01  0.308610D+01  0.446382D+01
      6  -0.430804D+01 -0.954216D+01  0.470897D+01  0.161915D+01  0.372645D+01
               171 
      1  -0.100862D+01
      2  -0.178489D-01
      3   0.102647D+01
      4   0.407552D+01
      5  -0.189252D+01
      6  -0.116278D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.823589D+02      0.122043D+02      0.135791D+02
   aniso      0.186198D+02      0.275917D+01      0.306999D+01
   xx         0.927763D+02      0.137480D+02      0.152968D+02
   yx        -0.431012D+01     -0.638694D+00     -0.710643D+00
   yy         0.805899D+02      0.119422D+02      0.132875D+02
   zx        -0.177648D+01     -0.263248D+00     -0.292903D+00
   zy         0.779615D+00      0.115527D+00      0.128541D+00
   zz         0.737104D+02      0.109228D+02      0.121532D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.823589D+02      0.122043D+02      0.135791D+02
   aniso      0.186198D+02      0.275917D+01      0.306999D+01
   xx         0.741153D+02      0.109828D+02      0.122200D+02
   yx        -0.132919D+01     -0.196965D+00     -0.219153D+00
   yy         0.789732D+02      0.117026D+02      0.130209D+02
   zx         0.190288D+01      0.281978D+00      0.313743D+00
   zy         0.168760D+01      0.250076D+00      0.278247D+00
   zz         0.939882D+02      0.139276D+02      0.154966D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-35\Freq\RM11\Gen\C6H10O3\PIERPA\08-Jul-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.391473,-0.24830
 3,-0.123357\C,-0.243522,0.655863,-0.542507\C,0.981653,-0.084895,0.0179
 22\C,0.496618,-1.529573,-0.204524\O,-0.939721,-1.510078,0.006228\O,-2.
 521298,0.09099,0.087826\O,-0.412527,1.974539,-0.102863\H,-0.197683,0.6
 20961,-1.642905\H,0.917744,-2.241771,0.501987\H,0.68727,-1.873494,-1.2
 23519\H,-1.358566,2.100303,0.062355\C,1.149948,0.199957,1.512528\C,2.2
 6717,0.215237,-0.74253\H,0.252859,-0.059462,2.077615\H,1.351897,1.2567
 3,1.677591\H,1.982205,-0.38222,1.911899\H,2.149353,0.028869,-1.811924\
 H,3.090365,-0.403337,-0.378159\H,2.55056,1.260108,-0.609664\\Version=E
 S64L-G16RevA.03\State=1-A\HF=-460.5573165\RMSD=4.905e-09\RMSF=3.964e-0
 6\ZeroPoint=0.1583516\Thermal=0.1673363\Dipole=1.3584313,-0.3175163,-0
 .2851172\DipoleDeriv=1.6547695,-0.3715147,-0.1489536,-0.6263617,1.2475
 003,-0.0695851,-0.1857489,-0.1215566,0.2786702,0.015585,-0.2635343,0.0
 776216,-0.2541365,0.58926,0.1568839,0.0846658,0.1889115,0.3390778,0.11
 1446,0.1293491,-0.0357032,-0.0124038,-0.0499578,0.0155443,-0.0400202,0
 .0076097,0.0903982,0.6875546,-0.1525112,-0.0385729,-0.0166217,0.282332
 5,-0.0058158,-0.0681449,0.0359257,0.2961663,-0.9868049,0.1837969,0.077
 6178,0.5705427,-1.026678,0.0129693,0.0046982,0.0798873,-0.2436197,-1.3
 304554,0.258598,0.0896998,0.1691214,-0.6102465,0.0016843,0.1874457,-0.
 0211797,-0.3595453,-0.3605236,0.1320072,-0.0035927,0.1964719,-0.865019
 1,-0.0822515,0.0209323,-0.0773316,-0.4564433,0.0267777,0.0066524,0.006
 7049,-0.0037088,-0.0161502,-0.0208813,-0.0093066,-0.0645904,-0.1515091
 ,-0.0144877,0.0546636,-0.0162181,0.0426383,-0.009921,0.0421966,-0.0490
 43,0.0976462,-0.0039636,-0.0301269,0.0249977,0.0029672,0.007068,0.0307
 514,-0.0382527,0.0580772,-0.0962749,-0.1208873,0.2214124,0.0277839,0.0
 000856,-0.0550141,0.3570254,0.0016991,-0.0170934,-0.0163988,0.2821538,
 0.0400105,-0.0274093,0.0138293,-0.0203002,0.048823,-0.0164993,0.026668
 3,-0.0266343,-0.0137153,0.0456832,-0.0334938,0.0276247,-0.0335614,0.07
 37036,-0.0019789,0.023602,0.0069368,0.0618784,-0.0683748,-0.0385012,0.
 093262,-0.0357603,0.0564308,0.0249357,0.0633758,0.0086313,-0.0039749,0
 .066589,-0.0359122,-0.0091775,-0.0560381,-0.0736259,-0.0533786,-0.0057
 623,-0.0031335,0.0397876,-0.0619546,0.0819397,-0.0800398,0.1000648,0.0
 017134,0.0485755,-0.0484081,0.0107003,0.0203068,0.0332065,-0.0181068,-
 0.0482854,-0.006809,0.0573804,-0.0464177,0.0099488,-0.0279859,-0.14728
 25,-0.0826737,0.0590531,-0.0188442,0.1135164,-0.004504,0.0407194,-0.05
 93721,0.0594585,0.0307321,0.0323672,-0.0178582,0.0099747,-0.0787076,-0
 .0888182,-0.0101474,0.0034853,-0.0406216,0.0617695\Polar=87.453031,-4.
 4163936,75.9242528,-1.649959,1.021131,69.0442118\Quadrupole=-3.2669678
 ,0.1536185,3.1133493,-3.3935809,0.6676512,0.5593957\PG=C01 [X(C6H10O3)
 ]\NImag=0\\0.99784836,-0.13714541,0.53793259,-0.14759582,-0.01633188,0
 .25942156,-0.11026493,-0.04146930,0.01383764,0.45603301,-0.04695786,-0
 .10169932,0.01750441,-0.02415253,0.52958295,0.00717352,0.01144119,-0.0
 9830200,-0.02000953,0.01265255,0.52848381,-0.04210117,-0.00440215,-0.0
 0925454,-0.12443287,0.02488552,-0.02768602,0.53145245,0.00067236,0.015
 26981,-0.01239185,0.01619429,-0.08265104,0.00951732,0.02433674,0.44710
 084,0.00382005,-0.00356718,0.00835348,-0.02699531,0.01326006,-0.089931
 05,-0.00916763,0.01252713,0.49393685,-0.05149577,0.05076086,0.00024600
 ,0.01130925,0.01551356,0.00670496,-0.07322805,-0.02057561,-0.00776096,
 0.40561045,0.04160023,-0.00101215,-0.00698275,0.00885464,-0.04191229,0
 .00020183,-0.00886912,-0.14660143,-0.01443480,-0.09052090,0.53774735,-
 0.00329010,-0.00515069,-0.00511358,0.00247366,0.01321579,0.00248539,-0
 .00358116,-0.00966195,-0.08245169,0.02222212,-0.02984477,0.61700634,-0
 .09918452,0.03023654,0.00318608,-0.00001311,-0.00751610,0.00227978,-0.
 03579190,-0.01161718,0.00995816,-0.15102754,-0.02051510,0.01933129,0.3
 7975263,-0.02861295,-0.25422963,0.03544884,0.00846425,-0.04099278,0.01
 009399,-0.02517757,-0.00706627,0.00639168,0.00279459,-0.08681249,0.002
 31525,-0.05465533,0.41620654,0.01322092,0.02846930,-0.05866706,0.00009
 141,0.01644023,0.01968890,-0.00293736,0.00347736,0.00120002,0.01843621
 ,0.00606223,-0.07051894,-0.04441966,-0.04178693,0.08143657,-0.69572661
 ,0.13360948,0.12319256,-0.04547203,0.01153382,0.01616121,-0.00057694,-
 0.00565485,0.00484793,0.01258805,0.00306761,0.00006525,-0.04135389,0.0
 6574003,0.00051266,0.77734972,0.14989740,-0.13648563,-0.02492580,-0.00
 982441,0.00712453,-0.00072941,-0.00129641,-0.00315536,0.00100234,-0.00
 919743,-0.00787252,0.00281958,0.07665456,-0.02614111,-0.00900243,-0.20
 642123,0.15246204,0.12117834,-0.02185041,-0.09713013,0.02124386,-0.005
 47963,0.01895208,0.00198124,0.00513629,-0.00285647,-0.00090104,0.00127
 917,0.00691494,0.00027498,-0.00684862,0.01294597,-0.14137403,0.0275881
 7,0.06095733,-0.00467314,-0.01474964,-0.01090280,-0.09678036,0.0379900
 6,0.01171426,0.00187673,0.03180441,0.01302657,-0.01022569,0.00192207,-
 0.00277444,0.00331837,-0.00895075,0.00429888,0.00505067,-0.00793372,-0
 .00055674,0.56308133,0.00769114,-0.04226650,-0.01348741,-0.01301252,-0
 .21648485,-0.05377365,0.00482368,-0.02289123,-0.00370459,0.00108747,-0
 .00023460,0.00104513,-0.00355800,-0.00709358,0.00281904,0.00112400,0.0
 0540883,0.00188885,-0.06937243,0.34524056,0.00426237,0.00037972,0.0017
 9892,0.00126224,-0.06373023,-0.07894008,0.00234443,0.00256381,0.005495
 78,0.00002994,0.00236435,-0.00031835,-0.00133304,0.00223511,-0.0002024
 4,-0.00132342,0.00360108,0.00195973,-0.09049562,0.10561702,0.09264625,
 0.00037355,0.00029047,0.03035887,-0.04829353,-0.00217551,0.01676176,-0
 .00185959,0.00258485,-0.02893382,-0.00005344,-0.00042840,0.00049236,-0
 .00084878,-0.00297858,-0.00332411,-0.00292869,-0.00099257,-0.00374442,
 0.00415142,0.00413965,0.00434384,0.05236425,0.00234557,0.00396067,0.01
 850500,-0.00473154,-0.04458628,0.01383858,0.00089212,0.00165909,0.0119
 0303,-0.00130135,0.00122398,0.00074141,-0.00030587,-0.00262368,-0.0022
 6518,-0.00217429,-0.00038291,-0.00175620,0.00734491,-0.01871635,-0.039
 90928,-0.00321300,0.06156510,0.00163145,0.00158048,-0.01146271,0.01022
 201,0.00832102,-0.27664073,-0.00080479,0.00186493,-0.01568590,-0.00034
 310,-0.00016949,-0.00057861,0.00141739,0.00195040,0.00071012,-0.000160
 18,0.00099797,0.00104479,0.00422107,-0.01722844,-0.00722581,-0.0139209
 3,0.00167757,0.30796648,-0.00355632,-0.00721322,-0.00196199,-0.0014004
 0,-0.00165172,-0.00065804,0.00707898,-0.00623980,0.00764655,-0.0789176
 4,0.05816621,-0.06014414,-0.02717439,0.02884560,-0.01857524,-0.0018997
 1,0.00327185,0.00109081,0.00149047,-0.00048714,-0.00012645,-0.00006343
 ,0.00023914,-0.00004875,0.09893767,0.00035011,-0.00107029,0.00019358,-
 0.00377733,-0.00297369,-0.00146270,0.01189187,-0.01845440,0.01767946,0
 .06635857,-0.16312644,0.11649600,0.00050094,0.00300748,-0.00209381,-0.
 00031386,0.00048246,0.00008040,0.00172967,-0.00093041,-0.00005726,0.00
 002591,0.00022065,0.00026348,-0.07213463,0.17372350,0.00254288,-0.0009
 8652,-0.00000213,-0.00037931,-0.00112875,-0.00012475,0.00226994,-0.005
 40306,0.00388078,-0.06879279,0.11967157,-0.17367242,0.00315153,-0.0059
 0243,0.00871035,-0.00002426,-0.00051661,-0.00024032,0.00021029,-0.0002
 6853,0.00011647,0.00024511,-0.00022408,0.00025288,0.07038610,-0.124397
 20,0.17835612,0.00085629,-0.00731571,0.00503875,-0.00018665,0.00036463
 ,0.00038816,0.00182600,-0.00230103,-0.00977891,-0.04855896,0.01177444,
 0.02711823,-0.02483620,0.01687495,0.03327844,-0.00266769,0.00253645,-0
 .00156821,0.00044837,0.00000469,-0.00009104,0.00025967,0.00011746,-0.0
 0012567,0.00492516,-0.00408872,-0.01046544,0.06780082,0.00068479,-0.00
 096515,-0.00078284,-0.00017099,0.00078819,-0.00165008,0.00227574,-0.00
 738811,-0.02768951,0.01310915,-0.07818183,-0.07125556,0.00124290,0.002
 91752,-0.00039611,-0.00003829,0.00008598,0.00032244,-0.00001204,-0.000
 14101,0.00066248,0.00021965,-0.00028182,0.00061204,-0.00326606,0.00784
 890,0.01982811,-0.01387252,0.07891159,-0.00046876,0.00287249,-0.000539
 26,-0.00025599,-0.00002150,0.00023852,-0.00054967,-0.00075456,-0.00421
 855,0.03289162,-0.07225269,-0.27966555,0.00833975,-0.00196542,0.003329
 49,0.00025713,-0.00059540,-0.00008626,-0.00010010,-0.00006018,0.000150
 70,0.00022367,-0.00041182,0.00022469,0.00210198,-0.00711368,-0.0188438
 5,-0.04221328,0.08100597,0.29688146,0.00802980,-0.00729367,-0.00164832
 ,-0.00589135,0.00515689,0.00195928,0.00025882,-0.00064924,0.00105029,0
 .00075103,0.00055470,-0.00033390,-0.00316841,0.00138094,0.00014134,-0.
 00178868,0.00429270,0.00054320,-0.46850010,0.06749232,0.08279738,-0.00
 053408,-0.00134270,-0.00164640,-0.00029914,-0.00002362,0.00015860,-0.0
 0015539,0.00003187,0.00004452,0.47119107,0.00766757,-0.00861508,-0.000
 27171,0.04486948,-0.01608470,-0.00780863,-0.00080266,-0.00593727,-0.00
 309851,0.00336977,-0.00040042,0.00057354,-0.00262844,0.00434237,-0.000
 98484,-0.00163705,0.00568375,0.00104871,0.01949827,-0.04270449,-0.0164
 5185,0.00011993,-0.00134594,-0.00056294,-0.00054241,-0.00046689,-0.000
 06682,-0.00025708,0.00001064,0.00009808,-0.06939886,0.06522950,-0.0006
 0981,0.00102675,0.00333330,0.01392590,-0.00657887,-0.00616175,-0.00153
 868,0.00222162,-0.00088010,-0.00060410,0.00007055,0.00015325,0.0004821
 5,-0.00054650,-0.00010667,-0.00037471,0.00017309,-0.00323488,0.0711102
 9,-0.02204067,-0.01636610,0.00072861,-0.00276534,-0.00134855,0.0001074
 3,0.00018247,0.00008863,0.00005321,0.00004376,-0.00001795,-0.08325471,
 0.02760976,0.02434599,0.00085220,0.00097925,-0.00299158,-0.00593440,-0
 .00364662,-0.02841726,-0.08167528,-0.00325469,-0.01035901,-0.00108804,
 -0.00207437,-0.00885650,-0.00040083,-0.00069208,0.00058446,-0.00039282
 ,-0.00023563,0.00080134,0.00005558,-0.00081117,-0.00107682,-0.00403906
 ,0.00196389,-0.00186175,0.00068830,0.00076693,0.00032185,-0.00034837,-
 0.00070436,-0.00029387,0.00026174,-0.00017136,-0.00039526,0.57574996,-
 0.00005872,-0.00333878,0.00067206,0.00261542,0.00460324,0.01829480,-0.
 00206435,-0.07963364,-0.01500363,-0.00434887,-0.01283183,-0.03624924,-
 0.00009359,0.00195915,0.00020335,-0.00029850,0.00080846,-0.00012051,-0
 .00112592,-0.00012849,0.00001776,0.00377348,-0.00114539,0.00166331,0.0
 0000787,0.00184464,-0.00118068,-0.00320367,-0.00523729,-0.00163957,-0.
 00005766,0.00019523,0.00019579,-0.00185281,0.57789127,-0.00121608,0.00
 002763,0.00160839,-0.01070690,0.00409170,-0.01879685,-0.00632761,-0.01
 685333,-0.16644280,-0.00482417,-0.00930736,-0.00851416,0.00082790,-0.0
 0022784,-0.00114473,0.00104229,-0.00014964,-0.00078471,0.00063609,-0.0
 0208095,-0.00144379,-0.00086324,0.00019578,0.00100082,0.00051396,0.001
 73185,0.00081847,-0.00012735,0.00100620,0.00095150,0.00027168,-0.00061
 146,0.00047877,-0.01453442,-0.02057921,0.46184259,-0.00280779,0.003704
 76,-0.00163837,-0.03036811,-0.00353274,0.00970556,-0.15209863,-0.01776
 233,0.04394607,-0.01302828,-0.00772768,0.00377302,0.00166476,-0.001302
 85,0.00043164,-0.00115291,-0.00086406,0.00088859,0.00072708,-0.0004741
 0,-0.00044419,0.00147483,-0.00030784,0.00202743,0.00072498,0.00051304,
 0.00005337,0.00071061,0.00108290,0.00054689,-0.00008250,-0.00026686,0.
 00015480,0.00206894,0.00109934,0.00443807,0.49509437,0.00240052,-0.008
 01217,0.00308810,0.01707403,0.00727906,-0.00881926,-0.01825115,-0.0842
 4191,0.01045631,-0.02665850,-0.00538995,0.01487495,-0.00773154,-0.0026
 4856,-0.00044235,0.00105972,0.00200224,-0.00128008,0.00009470,-0.00050
 132,-0.00000403,-0.00082562,0.00017970,-0.00092849,0.00056516,-0.00063
 981,0.00027978,-0.00060503,0.00165226,0.00079756,-0.00009985,-0.000265
 15,0.00010120,0.00497946,0.00221080,-0.00261972,-0.01509180,0.56605776
 ,-0.00145678,0.00123914,-0.00182736,-0.00735147,-0.00517671,0.00516406
 ,0.04629002,0.01103119,-0.10361531,-0.00037018,0.00342810,0.00104888,-
 0.00330223,-0.00168979,0.00034446,-0.00202405,-0.00033911,0.00109381,-
 0.00015699,0.00040933,0.00038185,-0.00177371,0.00031558,0.00082060,0.0
 0003034,-0.00038261,-0.00032263,-0.00111686,-0.00136933,0.00059541,-0.
 00007008,0.00003274,-0.00025785,0.03052390,0.00659828,-0.02605617,0.04
 622974,0.01266034,0.54985042,0.00016912,-0.00047534,-0.00000649,0.0003
 0612,0.00069588,0.00024138,0.00424895,0.00221901,-0.00228331,-0.000303
 66,-0.00041629,0.00055609,0.00009918,-0.00020427,-0.00118596,0.0000308
 2,0.00005696,-0.00016050,0.00019373,-0.00008875,-0.00042938,0.00011727
 ,-0.00008579,0.00011598,-0.00012843,0.00022457,0.00016392,-0.00000221,
 0.00020200,-0.00003694,0.00005234,-0.00002522,0.00011396,-0.22654838,-
 0.05234382,0.10930493,0.00060629,0.00002805,-0.00046175,0.24503629,-0.
 00085831,0.00141601,-0.00025819,-0.00053851,0.00050541,0.00085715,0.00
 628621,-0.00021233,-0.00313774,0.00050570,0.00041591,-0.00014190,0.000
 07086,-0.00077576,-0.00005621,0.00049003,-0.00047163,-0.00015244,0.000
 18381,-0.00007870,-0.00095475,0.00005313,-0.00011686,-0.00004543,0.000
 13087,-0.00018158,0.00002118,0.00012621,0.00003579,0.00020205,0.000177
 82,-0.00001163,0.00038226,-0.05259344,-0.06268822,0.03267907,-0.000289
 75,0.00005642,-0.00123928,0.05817304,0.06297037,-0.00099350,0.00060727
 ,-0.00176504,0.00101803,-0.00023342,0.00092392,0.02759434,0.00821806,-
 0.01573799,0.00146706,0.00077197,0.00042271,-0.00077015,-0.00032094,0.
 00086013,-0.00023648,-0.00010912,0.00037977,-0.00043442,0.00020229,0.0
 0049597,0.00003339,-0.00028706,0.00019983,-0.00013768,-0.00040600,0.00
 013487,0.00012648,0.00013448,0.00020918,-0.00006889,0.00029365,-0.0002
 2273,0.10749163,0.03133324,-0.11499619,-0.00260987,-0.00178308,-0.0059
 5940,-0.11954685,-0.03400963,0.12720131,0.00049774,-0.00096453,0.00064
 804,0.00046016,-0.00166764,-0.00057706,-0.00211402,-0.00353985,-0.0007
 8919,0.00013418,0.00048380,-0.00074057,0.00022766,0.00046049,-0.000439
 95,-0.00019789,0.00038105,-0.00007260,-0.00020176,0.00064397,0.0007340
 0,0.00010307,0.00025229,0.00013654,0.00002714,-0.00011402,0.00009931,-
 0.00009796,-0.00025207,-0.00006714,-0.00023239,0.00002369,-0.00008185,
 -0.05599933,-0.04821939,-0.00667582,0.00010068,0.00064466,0.00023547,-
 0.00503673,-0.02656287,-0.00458117,0.05659964,0.00051163,-0.00069989,0
 .00003144,0.00080467,-0.00114079,-0.00032009,-0.00201879,-0.00529632,-
 0.00182089,0.00072476,0.00060505,-0.00109239,-0.00024871,0.00042695,-0
 .00005549,-0.00025411,0.00028610,0.00003289,0.00126746,0.00023056,0.00
 196203,-0.00020972,0.00003585,-0.00005908,-0.00000792,0.00044802,0.000
 02615,-0.00028776,-0.00016984,-0.00010459,-0.00008537,0.00003607,0.000
 00056,-0.04987260,-0.30173792,-0.03800180,-0.00009032,0.00031392,0.000
 65785,-0.00102530,-0.00622202,-0.00052838,0.05369882,0.32700149,0.0004
 9200,-0.00085630,0.00005630,0.00057503,-0.00138844,0.00065344,-0.00666
 659,-0.03237302,-0.00507133,0.00055512,-0.00020582,-0.00687111,-0.0005
 3812,0.00072249,0.00037634,-0.00024886,0.00036388,0.00004304,-0.000248
 06,0.00084471,-0.00012865,0.00024986,0.00011687,0.00003597,0.00013579,
 0.00010162,-0.00003768,-0.00087247,-0.00174625,-0.00036642,0.00004129,
 0.00018984,0.00030975,-0.00592777,-0.03514000,-0.05197197,-0.00082044,
 -0.00069759,0.00164966,0.00213460,0.01642117,0.00240649,0.00743166,0.0
 4152570,0.05799363,0.00047654,0.00078500,0.00042999,0.00122008,-0.0005
 0454,-0.00033452,-0.00415777,0.00144854,-0.00161758,-0.00044968,0.0009
 6082,0.00017314,0.00019731,-0.00068270,-0.00018492,0.00009959,-0.00028
 318,-0.00012042,0.00011424,-0.00009915,-0.00025458,-0.00018055,0.00020
 135,-0.00025504,-0.00008355,-0.00077142,-0.00009372,0.00014162,-0.0002
 6217,0.00016443,0.00014365,-0.00009895,0.00016755,-0.20009497,0.107437
 08,-0.07087269,0.00046952,-0.00025847,0.00086557,-0.01946546,0.0145877
 5,-0.00984020,0.00554512,-0.00324764,0.00325951,0.21533145,0.00014060,
 -0.00025867,0.00007466,0.00000751,-0.00117639,-0.00220857,-0.00568201,
 0.00211331,-0.00353754,-0.00079225,0.00146938,-0.00008888,-0.00031218,
 -0.00010052,-0.00021975,0.00014527,0.00013032,0.00000034,0.00061298,0.
 00043698,0.00138620,-0.00041041,0.00034964,-0.00015441,0.00013636,0.00
 001221,0.00010970,0.00008183,0.00012575,0.00011850,-0.00011563,0.00003
 737,-0.00000155,0.10744142,-0.12295638,0.05068463,-0.00000883,0.000029
 51,0.00008810,-0.00669412,0.00437451,-0.00398745,0.02471276,-0.0147919
 6,0.01122099,-0.11897199,0.13005727,0.00106527,0.00130214,-0.00083350,
 0.00075602,-0.00284061,-0.00626821,-0.02610318,0.01735026,-0.01447215,
 -0.00017858,0.00201388,0.00109791,0.00045423,-0.00073706,0.00027501,-0
 .00048828,-0.00025121,0.00042111,0.00049172,-0.00018640,0.00116818,-0.
 00170175,0.00074630,-0.00068950,0.00007315,-0.00082790,0.00046731,0.00
 022438,0.00000685,0.00021954,0.00002445,0.00001592,-0.00021235,-0.0695
 1264,0.04917014,-0.07821601,-0.00128922,0.00055652,0.00142452,0.011990
 30,-0.01008263,0.00627528,0.00455842,-0.00192297,0.00104962,0.07850588
 ,-0.05376578,0.08814440,0.00004819,-0.00022473,0.00005256,0.00166909,0
 .00035330,0.00178079,0.00245325,0.00536243,0.02753826,0.00076875,0.000
 90612,0.00063443,0.00024717,0.00020097,-0.00023004,0.00032890,0.000040
 29,-0.00007585,-0.00005479,-0.00021887,-0.00043255,-0.00024158,0.00011
 106,-0.00074043,-0.00000685,-0.00002527,-0.00012276,0.00008894,-0.0003
 7277,-0.00033451,-0.00002315,0.00003208,0.00001506,-0.00485591,-0.0014
 0170,0.00199471,-0.05185655,-0.00573133,-0.03252104,0.00032972,0.00016
 943,0.00175486,-0.00007639,0.00002521,-0.00019294,0.00013853,-0.000259
 61,0.00011710,0.05545604,0.00005942,0.00053611,-0.00002004,-0.00003227
 ,-0.00001734,-0.00070368,0.00122486,-0.00087595,0.00656289,-0.00003096
 ,0.00062889,0.00161570,0.00036389,-0.00039531,-0.00018770,0.00008360,-
 0.00016333,0.00002423,0.00009254,-0.00004965,0.00013113,0.00027309,0.0
 0004518,0.00008125,-0.00007694,0.00001809,-0.00006685,-0.00017280,-0.0
 0022459,-0.00017325,0.00004513,0.00003430,-0.00000703,-0.00083751,-0.0
 0005930,0.00057761,-0.00558810,-0.05532619,-0.04465568,-0.00014281,0.0
 0060304,0.00025922,-0.00004837,0.00030157,0.00032500,-0.00020237,0.000
 01891,-0.00027187,0.00727086,0.05534660,0.00007350,-0.00009341,0.00030
 634,-0.00137259,0.00003935,-0.00005423,-0.00243094,-0.00283745,-0.0171
 5279,-0.00050377,-0.00127019,-0.00041002,-0.00021433,0.00024816,0.0005
 5387,-0.00018741,0.00008330,-0.00002411,0.00005255,0.00015946,0.000306
 86,0.00062751,-0.00028333,0.00097195,-0.00009683,-0.00007264,0.0002299
 9,0.00020384,0.00088514,0.00072099,-0.00002090,0.00000727,0.00004045,0
 .00426430,0.00145863,-0.00043226,-0.03002197,-0.04404400,-0.29414332,-
 0.00011010,-0.00035926,-0.00115933,-0.00012886,-0.00001875,0.00024514,
 -0.00004195,-0.00001723,0.00047404,0.03171534,0.04854546,0.32215090,-0
 .00018453,0.00290412,-0.00128045,-0.00342057,-0.00365570,0.00355342,-0
 .02212788,0.01629698,-0.01038990,0.00023574,0.00103723,-0.00033851,0.0
 0065881,-0.00103733,0.00031816,-0.00106524,-0.00071707,0.00061849,-0.0
 0025682,0.00051630,0.00020516,0.00040567,-0.00009635,0.00026126,-0.000
 19968,-0.00057432,0.00018769,-0.00005707,-0.00023390,-0.00018608,0.000
 02015,0.00010887,-0.00008082,0.00076902,0.00024524,-0.00162198,-0.1900
 3858,0.11012124,-0.06515152,0.00030791,-0.00039508,-0.00000933,0.00002
 336,-0.00004525,0.00007909,0.00055286,-0.00020353,0.00089268,-0.002586
 14,0.00133484,-0.00126514,0.21004464,-0.00073793,0.00033031,-0.0000729
 7,-0.00150843,0.00013218,0.00049630,-0.00584721,0.00416155,-0.00293031
 ,-0.00035160,0.00067744,-0.00052875,0.00059333,-0.00013258,-0.00009496
 ,0.00025193,-0.00010016,0.00003910,-0.00021666,0.00031422,0.00000773,-
 0.00006037,-0.00002181,0.00012795,0.00016302,0.00021953,0.00017615,0.0
 0008697,-0.00000604,-0.00010774,-0.00003532,0.00015612,0.00001586,0.00
 011015,-0.00004540,-0.00015036,0.11070637,-0.13223890,0.05060229,-0.00
 017420,0.00004657,-0.00019294,0.00010803,-0.00006318,0.00009759,0.0000
 3473,0.00023349,-0.00031141,-0.00576455,0.00337664,-0.00171112,-0.1212
 5822,0.13995651,0.00053041,-0.00075651,0.00093644,0.00227966,0.0014538
 8,-0.00171657,0.01245024,-0.01088228,0.00475645,-0.00036698,-0.0000812
 9,0.00064342,-0.00035289,-0.00005443,-0.00026637,0.00025261,0.00016609
 ,-0.00033818,-0.00012108,-0.00016101,0.00017837,0.00018093,-0.00000748
 ,0.00041489,-0.00012330,0.00012855,0.00002839,-0.00013769,0.00010238,-
 0.00014960,0.00001298,0.00000385,0.00007281,0.00046489,-0.00060243,0.0
 0119489,-0.06642511,0.05107248,-0.07834091,-0.00021296,0.00008044,0.00
 016380,0.00003817,-0.00004081,-0.00009224,0.00006620,0.00023801,-0.000
 25331,-0.02324720,0.01875272,-0.00965175,0.07074063,-0.05685115,0.0815
 3727,0.00084300,-0.00201681,0.00028986,0.00146060,-0.00103271,-0.00074
 164,-0.00903109,-0.02932503,-0.00375826,-0.00302070,0.00122399,0.00321
 971,-0.00236630,-0.00046743,-0.00001687,-0.00022467,0.00063447,-0.0000
 4704,0.00018469,0.00059890,0.00002772,-0.00020702,0.00009093,-0.000126
 09,-0.00014315,-0.00053842,0.00008770,-0.00014699,0.00033615,-0.000063
 65,-0.00003342,0.00013920,0.00008098,0.00093165,-0.00010943,-0.0012593
 7,-0.06220870,-0.06171424,-0.00841840,-0.00001286,0.00028311,-0.000257
 26,0.00023771,0.00036094,0.00056130,0.00000145,0.00017185,0.00012004,-
 0.00182722,-0.00361611,-0.00054224,0.00691835,0.02389995,0.00397048,0.
 06864467,0.00034982,-0.00079223,0.00000735,0.00033355,-0.00029610,0.00
 008236,-0.00220532,-0.00589934,-0.00085820,-0.00044697,0.00160797,0.00
 031679,-0.00048098,0.00015227,0.00011423,-0.00031331,0.00029795,0.0000
 4730,-0.00017972,0.00059004,0.00017897,-0.00018599,-0.00001884,0.00000
 788,0.00009377,0.00001805,0.00002890,0.00013667,0.00021907,0.00010574,
 -0.00003045,0.00010622,-0.00008372,0.00050554,0.00028986,-0.00041278,-
 0.06379914,-0.29051771,-0.03221045,0.00007640,0.00033471,0.00003784,-0
 .00004084,0.00043635,0.00047757,-0.00007272,-0.00010473,0.00003582,-0.
 00047292,-0.00379766,-0.00071938,-0.00434809,-0.01699648,-0.00256099,0
 .07108069,0.31437060,-0.00035985,0.00064681,-0.00017194,-0.00061435,-0
 .00040082,0.00034610,0.00411795,0.01724953,0.00089276,0.00209262,-0.00
 131449,-0.00165841,0.00122718,0.00067403,0.00047500,0.00011004,-0.0001
 7678,-0.00001753,0.00002852,0.00000600,-0.00007385,0.00001608,-0.00013
 035,-0.00001122,-0.00021369,-0.00004359,0.00015952,0.00006542,0.000279
 83,0.00036594,-0.00000179,-0.00001662,-0.00001404,-0.00022550,0.000907
 92,0.00090421,-0.00894602,-0.03326865,-0.05185072,-0.00018692,-0.00020
 585,0.00016741,0.00027260,-0.00027139,-0.00027999,-0.00001666,0.000060
 01,-0.00007189,-0.00770581,-0.03078910,-0.00297273,0.00346716,0.011388
 72,0.00088220,0.00687302,0.03540477,0.05292918\\0.00001224,0.00000918,
 -0.00000317,-0.00000098,-0.00000649,0.00000022,-0.00000191,-0.00000457
 ,-0.00000866,0.00000640,-0.00000277,-0.00000044,-0.00000914,0.00000555
 ,0.00000135,-0.00000089,-0.00000175,-0.00000021,-0.00000081,-0.0000028
 7,0.00000119,-0.00000294,-0.00000073,-0.00000068,-0.00000109,-0.000000
 46,0.00000195,0.00000431,-0.00000428,-0.00000233,-0.00000039,0.0000026
 3,-0.00000085,-0.00000145,0.00000512,0.00000189,-0.00000186,0.00000604
 ,-0.00000244,-0.00000499,-0.00000429,-0.00000074,0.00000499,-0.0000027
 4,0.00000499,0.00000088,-0.00000139,-0.00000112,-0.00000200,-0.0000003
 7,0.00000399,0.00000424,0.00000205,0.00000183,-0.00000462,0.00000214,0
 .00000323\\\@


    UPON JULIA'S CLOTHES

 WHENAS IN SILKS MY JULIA GOES,
 THEN, THEN, METHINKS, HOW SWEETLY FLOWS
 THAT LIQUEFACTION OF HER CLOTHES.

 NEXT, WHEN I CAST MINE EYES, AND SEE
 THAT BRAVE VIBRATION, EACH WAY FREE,
 O, HOW THAT GLITTERING TAKETH ME!
     -- ROBERT HERRICK, 1648
 Job cpu time:       0 days  7 hours 22 minutes 58.3 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 44.2 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:19:29 2021.
